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

Systemtic Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-cyclohexylphenyl)sulfonyl-4-(2-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=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

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