1-(4-cyclohexylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S/c26-28(27,22-10-8-21(9-11-22)20-6-2-1-3-7-20)25-15-13-24(14-16-25)18-19-5-4-12-23-17-19/h4-5,8-12,17,20H,1-3,6-7,13-16,18H2/p+1