1-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]piperidin-1-ium-4-carboxamide Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N4O4S/c20-19(25)17-6-8-21(9-7-17)14-18(24)22-10-12-23(13-11-22)28(26,27)15-16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H2,20,25)/p+1