N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-pyridin-2-yl-piperazin-1-ium-1-yl]hexane-1-sulfonamide

Systemtic Name: N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-pyridin-2-yl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-(2-pyridyl)piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-(2-pyridinyl)-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-pyridin-2-ylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[4-(4-chlorophenyl)-1-cyclopropyl-2-methyl-6-(2-pyridyl)piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C25H36ClN4O2S+ MolecularWeight: 492.09694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=CC=N2)C3=CC=C(C=C3)Cl)C)C4CC4

Isomeric SMILES

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=CC=N2)C3=CC=C(C=C3)Cl)C)C4CC4

InChI

InChI=1S/C25H36ClN4O2S/c1-3-4-5-8-17-33(31,32)28-30(23-14-15-23)20(2)18-29(22-12-10-21(26)11-13-22)19-25(30)24-9-6-7-16-27-24/h6-7,9-13,16,20,23,25,28H,3-5,8,14-15,17-19H2,1-2H3/q+1