(5-ethanoyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-ethanoyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Openeye Name: (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid (5-acetyl-1H-indol-2-yl)methyl ester IUPAC Name: (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid (5-acetyl-1H-indol-2-yl)methyl ester Formula: C18H17N2O3+ MolecularWeight: 309.33918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)NC(=C2)COC(=O)C3=C[N+](=CC=C3)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)NC(=C2)COC(=O)C3=C[N+](=CC=C3)C

InChI

InChI=1S/C18H16N2O3/c1-12(21)13-5-6-17-15(8-13)9-16(19-17)11-23-18(22)14-4-3-7-20(2)10-14/h3-10H,11H2,1-2H3/p+1