N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[2-keto-2-(propylamino)ethyl]-N-methyl-acetamide Formula: C18H29N4O4S+ MolecularWeight: 397.51226

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H28N4O4S/c1-3-9-19-17(23)14-20(2)18(24)15-21-10-12-22(13-11-21)27(25,26)16-7-5-4-6-8-16/h4-8H,3,9-15H2,1-2H3,(H,19,23)/p+1