ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(4-tosylpiperazino)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H32N3O5S+ MolecularWeight: 438.56088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O5S/c1-3-29-21(26)18-8-10-22(11-9-18)16-20(25)23-12-14-24(15-13-23)30(27,28)19-6-4-17(2)5-7-19/h4-7,18H,3,8-16H2,1-2H3/p+1