1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium

Systemtic Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Openeye Name: 1-(4-cyclohexylphenyl)sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium CAS Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium IUPAC Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridin-4-ylethyl)piperazin-4-ium Traditional Name: 1-(4-cyclohexylphenyl)sulfonyl-4-[2-(4-pyridyl)ethyl]piperazin-4-ium Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCC4=CC=NC=C4

InChI

InChI=1S/C23H31N3O2S/c27-29(28,23-8-6-22(7-9-23)21-4-2-1-3-5-21)26-18-16-25(17-19-26)15-12-20-10-13-24-14-11-20/h6-11,13-14,21H,1-5,12,15-19H2/p+1