1-(4-ethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-ethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-ethylphenyl)sulfonyl-4-(p-tolylmethyl)piperazin-4-ium CAS Name: 1-(4-ethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-ethylphenyl)sulfonyl-4-[(4-methylphenyl)methyl]piperazin-4-ium Traditional Name: 1-(4-ethylphenyl)sulfonyl-4-(4-methylbenzyl)piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C

InChI

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