methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 5-ethyl-1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C19H21N2O2+ MolecularWeight: 309.38224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=CC(=C1)C(=O)OC)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

CCC1=C[N+](=CC(=C1)C(=O)OC)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C19H21N2O2/c1-3-14-10-16(19(22)23-2)13-21(12-14)9-8-15-11-20-18-7-5-4-6-17(15)18/h4-7,10-13,20H,3,8-9H2,1-2H3/q+1