Chemical ID: 6750538

C[NH+](C)CCc1c[nH]c2c1cccc2
Chemical ID:
6750538
Name [?]:
2-(1H-indol-3-yl)ethyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)CCc1c[nH]c2c1cccc2
InChi [?]:
InChI=1/C12H16N2/c1-14(2)8-7-10-9-13-12-6-4-3-5-11(10)12/h3-6,9,13H,7-8H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,12,13,11,14,5,4,7,6,10,9,8,2/E:(1,2)/rA:14nCN+CCCCCNCCCCCC/rB:s1;s2;s2;s4;s5;d6;s7;s8;s6s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17N2+
All Atoms:31
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-23.3617
Area:375.261
Solvation:-32.7432
Coulombic:18.4141
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.277
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.0
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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