methyl 1-[2-(1-benzothiophen-3-yl)ethyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[2-(1-benzothiophen-3-yl)ethyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[2-(benzothiophen-3-yl)ethyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[2-(1-benzothiophen-3-yl)ethyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1-benzothiophen-3-yl)ethyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(benzothiophen-3-yl)ethyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C17H16NO2S+ MolecularWeight: 298.37944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C[N+](=CC=C1)CCC2=CSC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=C[N+](=CC=C1)CCC2=CSC3=CC=CC=C32

InChI

InChI=1S/C17H16NO2S/c1-20-17(19)13-5-4-9-18(11-13)10-8-14-12-21-16-7-3-2-6-15(14)16/h2-7,9,11-12H,8,10H2,1H3/q+1