1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-one

Systemtic Name: 1-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]piperidin-1-ium-4-one Openeye Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-one CAS Name: 1-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-4-piperidin-1-iumone IUPAC Name: 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-one Traditional Name: 1-[2-(4-besylpiperazino)-2-keto-ethyl]piperidin-1-ium-4-one Formula: C17H24N3O4S+ MolecularWeight: 366.45516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=O)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O4S/c21-15-6-8-18(9-7-15)14-17(22)19-10-12-20(13-11-19)25(23,24)16-4-2-1-3-5-16/h1-5H,6-14H2/p+1