1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-18-15-21(27-2)22(28-3)16-20(18)17-23-10-12-24(13-11-23)29(25,26)14-9-19-7-5-4-6-8-19/h4-9,14-16H,10-13,17H2,1-3H3/p+1/b14-9+