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Chemical ID: 7192569

CC1CC(C[NH+](C1)C2CC[NH+](CC2)Cc3ccc(cc3)SC)C

Chemical ID:

7192569

Name [?]:

3,5-dimethyl-1-[1-[(4-methylsulfanylphenyl)methyl]-3,4,5,6-tetrahydro-2H-pyridin-4-yl]-3,4,5,6-tetrahydro-2H-pyridine

SMILES [?]:

CC1CC(C[NH+](C1)C2CC[NH+](CC2)Cc3ccc(cc3)SC)C

InChi [?]:

InChI=1/C20H32N2S/c1-16-12-17(2)14-22(13-16)19-8-10-21(11-9-19)15-18-4-6-20(23-3)7-5-18/h4-7,16-17,19H,8-15H2,1-3H3/p+2

InChi Info:

AuxInfo=1/1/N:1,23,22,16,20,17,19,9,13,10,12,3,7,5,14,2,4,15,8,18,11,6,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)(13,14)(16,17)/rA:23cCCCCCN+CCCCN+CCCCCCCCCSCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₄N₂S+2
All Atoms:	57
Heavy Atoms:	23
Chiral Atoms:	2

ZAP Information [?]

Total:	-79.5956
Area:	557.812
Solvation:	-93.5409
Coulombic:	93.5928

Bond Count [?]

All:	25
Single:	22
Double:	3
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	334.563
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	4.37
LogP (Chemaxon):	4.09

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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