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

Systemtic Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)thiophene-2-carboxamide Openeye Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)thiophene-2-carboxamide CAS Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-2-thiophenecarboxamide IUPAC Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)thiophene-2-carboxamide Traditional Name: N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)thiophene-2-carboxamide Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C5=CC=CS5)C2

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN3C(=NC4=C3C=CC(=C4)NC(=O)C5=CC=CS5)C2

InChI

InChI=1S/C21H24N4OS/c26-21(19-7-4-12-27-19)22-15-8-9-18-17(13-15)23-20-14-24(10-11-25(18)20)16-5-2-1-3-6-16/h4,7-9,12-13,16H,1-3,5-6,10-11,14H2,(H,22,26)/p+1