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

Systemtic Name: 3-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-cyano-3-methyl-2-pentyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(2-amyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-dimethyl-ammonium Formula: C23H33N5+2 MolecularWeight: 379.54162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC[NH+](C)C

Isomeric SMILES

CCCCCC1=C([N+]2=C(C(=C1C)C#N)NC3=CC=CC=C32)NCCC[NH+](C)C

InChI

InChI=1S/C23H31N5/c1-5-6-7-11-18-17(2)19(16-24)23-26-20-12-8-9-13-21(20)28(23)22(18)25-14-10-15-27(3)4/h8-9,12-13H,5-7,10-11,14-15H2,1-4H3,(H,25,26)/p+2