(3R)-1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(4-besylpiperazino)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C18H26N4O4S/c19-18(24)15-5-4-8-20(13-15)14-17(23)21-9-11-22(12-10-21)27(25,26)16-6-2-1-3-7-16/h1-3,6-7,15H,4-5,8-14H2,(H2,19,24)/p+1/t15-/m1/s1