N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide

Systemtic Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide Openeye Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide CAS Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide IUPAC Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide Traditional Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzenesulfonamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)C2

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)C2

InChI

InChI=1S/C22H26N4O2S/c27-29(28,19-9-5-2-6-10-19)24-17-11-12-21-20(15-17)23-22-16-25(13-14-26(21)22)18-7-3-1-4-8-18/h2,5-6,9-12,15,18,24H,1,3-4,7-8,13-14,16H2/p+1