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Chemical ID: 6735533

Chemical ID:

6735533

Name [?]:

diethyl-[2-hydroxy-3-(3-methyl-5,6,7,8-tetrahydrocarbazol-9-yl)-propyl]-ammonium

SMILES [?]:

CC[NH+](CC)CC(Cn1c2ccc(cc2c3c1CCCC3)C)O

InChi [?]:

InChI=1/C20H30N2O/c1-4-21(5-2)13-16(23)14-22-19-9-7-6-8-17(19)18-12-15(3)10-11-20(18)22/h10-12,16,23H,4-9,13-14H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,5,22,2,4,20,19,21,18,12,11,14,6,8,13,7,16,15,17,10,3,9,23/E:(1,2)(4,5)/rA:23cCCN+CCCCCNCCCCCCCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;s19;s16s20;s13;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₃₁N₂O+
All Atoms:	54
Heavy Atoms:	23
Chiral Atoms:	1

ZAP Information [?]

Total:	-18.6895
Area:	524.67
Solvation:	-31.8062
Coulombic:	6.03689

Bond Count [?]

All:	25
Single:	21
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	315.473
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.7
LogP (Chemaxon):	4.3

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

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Chemical Mix	Source	External ID	Descriptor	Value