1-[4-methoxy-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-18(25)20-8-9-22(28-2)21(16-20)17-23-11-13-24(14-12-23)29(26,27)15-10-19-6-4-3-5-7-19/h3-10,15-16H,11-14,17H2,1-2H3/p+1/b15-10+