1H-indol-2-ylmethyl 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-4-carboxylate Openeye Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-pyridin-1-iumcarboxylic acid 1H-indol-2-ylmethyl ester IUPAC Name: 1H-indol-2-ylmethyl 1-methylpyridin-1-ium-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-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=C(C=C1)C(=O)OCC2=CC3=CC=CC=C3N2

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2/c1-18-8-6-12(7-9-18)16(19)20-11-14-10-13-4-2-3-5-15(13)17-14/h2-10H,11H2,1H3/p+1