methyl 2-(2,3,3-trimethyl-1-octadecyl-indol-1-ium-5-yl)ethanoate

Systemtic Name: methyl 2-(2,3,3-trimethyl-1-octadecyl-indol-1-ium-5-yl)ethanoate Openeye Name: methyl 2-(2,3,3-trimethyl-1-octadecyl-indol-1-ium-5-yl)acetate CAS Name: 2-(2,3,3-trimethyl-1-octadecyl-5-indol-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(2,3,3-trimethyl-1-octadecylindol-1-ium-5-yl)acetate Traditional Name: 2-(2,3,3-trimethyl-1-stearyl-indol-1-ium-5-yl)acetic acid methyl ester Formula: C32H54NO2+ MolecularWeight: 484.77666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=C1C=CC(=C2)CC(=O)OC)(C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=C1C=CC(=C2)CC(=O)OC)(C)C)C

InChI

InChI=1S/C32H54NO2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-33-27(2)32(3,4)29-25-28(22-23-30(29)33)26-31(34)35-5/h22-23,25H,6-21,24,26H2,1-5H3/q+1