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

Systemtic Name: 4-fluoranyl-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Openeye Name: 4-fluoro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide CAS Name: 4-fluoro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide IUPAC Name: 4-fluoro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Traditional Name: 4-fluoro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Formula: C25H24FN4O+ MolecularWeight: 415.482663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4O/c26-20-8-6-19(7-9-20)25(31)27-21-10-11-23-22(16-21)28-24-17-29(14-15-30(23)24)13-12-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,27,31)/p+1