Chemical ID: 7193402

Cc1cccc(c1)C[NH2+]CCc2c[nH]c3c2cccc3
Chemical ID:
7193402
Name [?]:
2-(1H-indol-3-yl)ethyl-(m-tolylmethyl)ammonium
SMILES [?]:
Cc1cccc(c1)C[NH2+]CCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C18H20N2/c1-14-5-4-6-15(11-14)12-19-10-9-16-13-20-18-8-3-2-7-17(16)18/h2-8,11,13,19-20H,9-10,12H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,18,19,4,3,5,17,20,11,10,7,8,13,2,6,12,16,15,9,14/rA:20nCCCCCCCCN+CCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;s14;s12s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21N2+
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-22.7003
Area:491.336
Solvation:-34.9837
Coulombic:22.6093
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.373
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.91
LogP (Chemaxon):4.47

Name Annotations

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Descriptor Annotations

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