1-(4-cyclohexylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-(4-cyclohexylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-cyclohexylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-(4-cyclohexylphenyl)sulfonyl-piperazin-1-ium Formula: C23H31N2O2S+ MolecularWeight: 399.56944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O2S/c26-28(27,23-13-11-22(12-14-23)21-9-5-2-6-10-21)25-17-15-24(16-18-25)19-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,21H,2,5-6,9-10,15-19H2/p+1