1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium Openeye Name: 1-(4-phenylcyclohexyl)-4-(p-tolylsulfonyl)piperazin-1-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(4-phenylcyclohexyl)piperazin-4-ium Traditional Name: 1-(4-phenylcyclohexyl)-4-tosyl-piperazin-1-ium Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2O2S/c1-19-7-13-23(14-8-19)28(26,27)25-17-15-24(16-18-25)22-11-9-21(10-12-22)20-5-3-2-4-6-20/h2-8,13-14,21-22H,9-12,15-18H2,1H3/p+1