1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(o-tolylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(2-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(2-methylbenzyl)piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O2S/c1-16-8-9-18(3)20(14-16)25(23,24)22-12-10-21(11-13-22)15-19-7-5-4-6-17(19)2/h4-9,14H,10-13,15H2,1-3H3/p+1