1-[(3-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S/c1-18-6-5-9-20(16-18)17-21-11-13-22(14-12-21)25(23,24)15-10-19-7-3-2-4-8-19/h2-10,15-16H,11-14,17H2,1H3/p+1/b15-10+