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

Systemtic Name: N-[1-cyclopentyl-4-(4-fluorophenyl)-2-methyl-6-pyridin-2-yl-piperazin-1-ium-1-yl]hexane-1-sulfonamide Openeye Name: N-[1-cyclopentyl-4-(4-fluorophenyl)-2-methyl-6-(2-pyridyl)piperazin-1-ium-1-yl]hexane-1-sulfonamide CAS Name: N-[1-cyclopentyl-4-(4-fluorophenyl)-2-methyl-6-(2-pyridinyl)-1-piperazin-1-iumyl]-1-hexanesulfonamide IUPAC Name: N-[1-cyclopentyl-4-(4-fluorophenyl)-2-methyl-6-pyridin-2-ylpiperazin-1-ium-1-yl]hexane-1-sulfonamide Traditional Name: N-[1-cyclopentyl-4-(4-fluorophenyl)-2-methyl-6-(2-pyridyl)piperazin-1-ium-1-yl]hexane-1-sulfonamide Formula: C27H40FN4O2S+ MolecularWeight: 503.695503

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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)F)C)C4CCCC4

Isomeric SMILES

CCCCCCS(=O)(=O)N[N+]1(C(CN(CC1C2=CC=CC=N2)C3=CC=C(C=C3)F)C)C4CCCC4

InChI

InChI=1S/C27H40FN4O2S/c1-3-4-5-10-19-35(33,34)30-32(25-11-6-7-12-25)22(2)20-31(24-16-14-23(28)15-17-24)21-27(32)26-13-8-9-18-29-26/h8-9,13-18,22,25,27,30H,3-7,10-12,19-21H2,1-2H3/q+1