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

Systemtic Name: 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]piperidin-1-ium-4-carboxamide Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H28N4O4S/c23-22(28)18-7-9-24(10-8-18)16-21(27)25-11-13-26(14-12-25)31(29,30)20-6-5-17-3-1-2-4-19(17)15-20/h1-6,15,18H,7-14,16H2,(H2,23,28)/p+1