(5-ethanoyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate

Systemtic Name: (5-ethanoyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate Openeye Name: (5-acetyl-1H-indol-2-yl)methyl 1-methylpyridin-1-ium-4-carboxylate CAS Name: 1-methyl-4-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-4-carboxylate Traditional Name: 1-methylpyridin-1-ium-4-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=CC=[N+](C=C3)C

Isomeric SMILES

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

InChI

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