1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(phenylsulfonyl)propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C19H28N3O4S+ MolecularWeight: 394.50832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H27N3O4S/c23-18(8-15-27(25,26)17-6-2-1-3-7-17)22-13-11-20(12-14-22)16-19(24)21-9-4-5-10-21/h1-3,6-7H,4-5,8-16H2/p+1