1H-indol-2-ylmethyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate

Systemtic Name: 1H-indol-2-ylmethyl 2-(1-methylpyridin-1-ium-3-yl)ethanoate Openeye Name: 1H-indol-2-ylmethyl 2-(1-methylpyridin-1-ium-3-yl)acetate CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)acetic acid 1H-indol-2-ylmethyl ester IUPAC Name: 1H-indol-2-ylmethyl 2-(1-methylpyridin-1-ium-3-yl)acetate Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)acetic acid 1H-indol-2-ylmethyl ester Formula: C17H17N2O2+ MolecularWeight: 281.32908

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)CC(=O)OCC2=CC3=CC=CC=C3N2

Isomeric SMILES

C[N+]1=CC=CC(=C1)CC(=O)OCC2=CC3=CC=CC=C3N2

InChI

InChI=1S/C17H17N2O2/c1-19-8-4-5-13(11-19)9-17(20)21-12-15-10-14-6-2-3-7-16(14)18-15/h2-8,10-11,18H,9,12H2,1H3/q+1