Chemical ID: 7180617

c1ccc(cc1)C[NH2+]CCc2c[nH]c3c2cccc3
Chemical ID:
7180617
Name [?]:
benzyl-[2-(1H-indol-3-yl)ethyl]ammonium
SMILES [?]:
c1ccc(cc1)C[NH2+]CCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C17H18N2/c1-2-6-14(7-3-1)12-18-11-10-15-13-19-17-9-5-4-8-16(15)17/h1-9,13,18-19H,10-12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,17,18,3,5,16,19,10,9,7,12,4,11,15,14,8,13/E:(2,3)(6,7)/rA:19nCCCCCCCN+CCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;s13;s11s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N2+
All Atoms:38
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-23.2668
Area:471.343
Solvation:-35.0504
Coulombic:22.4527
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.346
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.47
LogP (Chemaxon):4.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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