Chemical ID: 6714354

Cc1c(c2ccccc2n1Cc3ccccc3)CC[NH3+]
Chemical ID:
6714354
Name [?]:
2-(1-benzyl-2-methyl-indol-3-yl)ethylammonium
SMILES [?]:
Cc1c(c2ccccc2n1Cc3ccccc3)CC[NH3+]
InChi [?]:
InChI=1/C18H20N2/c1-14-16(11-12-19)17-9-5-6-10-18(17)20(14)13-15-7-3-2-4-8-15/h2-10H,11-13,19H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,15,14,16,6,7,13,17,5,8,18,19,11,2,12,3,4,9,20,10/E:(3,4)(7,8)/rA:20nCCCCCCCCCNCCCCCCCCCN+/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s3;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N2+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-29.3884
Area:464.265
Solvation:-40.995
Coulombic:34.737
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:265.373
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.62
LogP (Chemaxon):3.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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