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

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(4-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[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

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