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

Systemtic Name: 3-nitro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Openeye Name: 3-nitro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide CAS Name: 3-nitro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide IUPAC Name: 3-nitro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Traditional Name: 3-nitro-N-(2-phenethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)benzamide Formula: C25H24N5O3+ MolecularWeight: 442.48976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O3/c31-25(19-7-4-8-21(15-19)30(32)33)26-20-9-10-23-22(16-20)27-24-17-28(13-14-29(23)24)12-11-18-5-2-1-3-6-18/h1-10,15-16H,11-14,17H2,(H,26,31)/p+1