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Chemical ID: 7450288

CN(CCc1ccc(c(c1)OC)OC)C(=O)C2CCCN(C2)C3CC[NH+](CC3)Cc4ccccc4

Chemical ID:

7450288

Name [?]:

1-(1-benzyl-3,4,5,6-tetrahydro-2H-pyridin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidine-3-carboxamide

SMILES [?]:

CN(CCc1ccc(c(c1)OC)OC)C(=O)C2CCCN(C2)C3CC[NH+](CC3)Cc4ccccc4

InChi [?]:

InChI=1/C29H41N3O3/c1-30(17-13-23-11-12-27(34-2)28(20-23)35-3)29(33)25-10-7-16-32(22-25)26-14-18-31(19-15-26)21-24-8-5-4-6-9-24/h4-6,8-9,11-12,20,25-26H,7,10,13-19,21-22H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,14,12,33,32,34,19,31,35,18,6,7,4,24,28,20,3,25,27,10,29,22,5,30,17,23,8,9,15,2,26,21,16,13,11/E:(5,6)(8,9)(14,15)(18,19)/rA:35cCNCCCCCCCCOCOCCOCCCCNCCCCN+CCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s8;s13;s2;d15;s15;s17;s18;s19;s20;s17s21;s21;s23;s24;s25;s26;s23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₄₂N₃O₃₊
All Atoms:	77
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	-16.2278
Area:	758.385
Solvation:	-35.1874
Coulombic:	-7.61846

Bond Count [?]

All:	38
Single:	31
Double:	7
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.45
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value