1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C20H27N2O4S+ MolecularWeight: 391.50438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O4S/c1-16-6-4-5-7-17(16)15-21-10-12-22(13-11-21)27(23,24)18-8-9-19(25-2)20(14-18)26-3/h4-9,14H,10-13,15H2,1-3H3/p+1