methyl 1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-besylpiperazino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H28N3O5S+ MolecularWeight: 410.50772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H27N3O5S/c1-27-19(24)16-7-9-20(10-8-16)15-18(23)21-11-13-22(14-12-21)28(25,26)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/p+1