3-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-3-propan-2-yl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-cyano-3-isopropyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C20H27N5+2 MolecularWeight: 337.46188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC[NH+](C)C

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC[NH+](C)C

InChI

InChI=1S/C20H25N5/c1-14(2)15-12-19(22-10-7-11-24(3)4)25-18-9-6-5-8-17(18)23-20(25)16(15)13-21/h5-6,8-9,12,14H,7,10-11H2,1-4H3,(H,22,23)/p+2