ethyl 1-[1-(phenylsulfonyl)piperidin-3-yl]carbonylpyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 1-[1-(phenylsulfonyl)piperidin-3-yl]carbonylpyridin-1-ium-3-carboxylate Openeye Name: ethyl 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[[1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(benzenesulfonyl)piperidine-3-carbonyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-(1-besylnipecotoyl)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H23N2O5S+ MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N2O5S/c1-2-27-20(24)17-9-6-12-21(14-17)19(23)16-8-7-13-22(15-16)28(25,26)18-10-4-3-5-11-18/h3-6,9-12,14,16H,2,7-8,13,15H2,1H3/q+1