1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4,5-dimethoxy-2-methyl-benzyl)-4-(3,4-dimethylphenyl)sulfonyl-piperazin-1-ium Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC)C

InChI

InChI=1S/C22H30N2O4S/c1-16-6-7-20(12-17(16)2)29(25,26)24-10-8-23(9-11-24)15-19-14-22(28-5)21(27-4)13-18(19)3/h6-7,12-14H,8-11,15H2,1-5H3/p+1