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

Systemtic Name: N-methyl-N-[2-oxidanylidene-2-(propylamino)ethyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide CAS Name: N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-[2-keto-2-(propylamino)ethyl]-N-methyl-acetamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCNC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H30N4O4S/c1-3-9-20-18(24)14-21(2)19(25)15-22-10-12-23(13-11-22)28(26,27)16-17-7-5-4-6-8-17/h4-8H,3,9-16H2,1-2H3,(H,20,24)/p+1