1H-indol-2-ylmethyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid 1H-indol-2-ylmethyl ester IUPAC Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid 1H-indol-2-ylmethyl ester Formula: C16H15N2O2+ MolecularWeight: 267.3025

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N2O2/c1-18-8-4-6-13(10-18)16(19)20-11-14-9-12-5-2-3-7-15(12)17-14/h2-10,17H,11H2,1H3/q+1