N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-methyl-N-[2-(methylamino)-2-oxo-ethyl]-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-keto-2-(methylamino)ethyl]-N-methyl-2-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O4S/c1-19-17(23)14-20(2)18(24)15-21-9-11-22(12-10-21)27(25,26)13-8-16-6-4-3-5-7-16/h3-8,13H,9-12,14-15H2,1-2H3,(H,19,23)/p+1/b13-8+