ethyl 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C24H32N3O5S+ MolecularWeight: 474.59298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H31N3O5S/c1-2-32-24(29)20-9-11-25(12-10-20)18-23(28)26-13-15-27(16-14-26)33(30,31)22-8-7-19-5-3-4-6-21(19)17-22/h3-8,17,20H,2,9-16,18H2,1H3/p+1