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

Systemtic Name: 3-[(4-cyano-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-azanium Openeye Name: 3-[(4-cyano-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[(4-cyano-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethylammonium IUPAC Name: 3-[(4-cyano-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethylazanium Traditional Name: 3-[(4-cyano-3-propyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium Formula: C22H31N5+2 MolecularWeight: 365.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC[NH+](CC)CC

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCCC[NH+](CC)CC

InChI

InChI=1S/C22H29N5/c1-4-10-17-15-21(24-13-9-14-26(5-2)6-3)27-20-12-8-7-11-19(20)25-22(27)18(17)16-23/h7-8,11-12,15H,4-6,9-10,13-14H2,1-3H3,(H,24,25)/p+2