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

Systemtic Name: 3-bromanyl-N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Openeye Name: 3-bromo-N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide CAS Name: 3-bromo-N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide IUPAC Name: 3-bromo-N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Traditional Name: 3-bromo-N-(2-cyclohexyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Formula: C23H26BrN4O+ MolecularWeight: 454.38274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4O/c24-17-6-4-5-16(13-17)23(29)25-18-9-10-21-20(14-18)26-22-15-27(11-12-28(21)22)19-7-2-1-3-8-19/h4-6,9-10,13-14,19H,1-3,7-8,11-12,15H2,(H,25,29)/p+1