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

Systemtic Name: N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Openeye Name: N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide CAS Name: N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide IUPAC Name: N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Traditional Name: N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C[NH+]1CCC5=CC=CC=C5

Isomeric SMILES

C1CN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC=CC=C4)C[NH+]1CCC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O/c30-25(20-9-5-2-6-10-20)26-21-11-12-23-22(17-21)27-24-18-28(15-16-29(23)24)14-13-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,26,30)/p+1