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

Systemtic Name: 3-bromanyl-N-(2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Openeye Name: 3-bromo-N-(2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide CAS Name: 3-bromo-N-(2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide IUPAC Name: 3-bromo-N-(2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Traditional Name: 3-bromo-N-(2-propyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Formula: C20H22BrN4O+ MolecularWeight: 414.31888

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)Br)C1

Isomeric SMILES

CCC[NH+]1CCN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC(=CC=C4)Br)C1

InChI

InChI=1S/C20H21BrN4O/c1-2-8-24-9-10-25-18-7-6-16(12-17(18)23-19(25)13-24)22-20(26)14-4-3-5-15(21)11-14/h3-7,11-12H,2,8-10,13H2,1H3,(H,22,26)/p+1