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

Systemtic Name: 3-[[4-cyano-3-(trifluoromethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-cyano-3-(trifluoromethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[4-cyano-3-(trifluoromethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-cyano-3-(trifluoromethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-cyano-3-(trifluoromethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-dimethyl-ammonium Formula: C18H20F3N5+2 MolecularWeight: 363.38011

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(F)(F)F)C#N

Isomeric SMILES

C[NH+](C)CCCNC1=[N+]2C3=CC=CC=C3NC2=C(C(=C1)C(F)(F)F)C#N

InChI

InChI=1S/C18H18F3N5/c1-25(2)9-5-8-23-16-10-13(18(19,20)21)12(11-22)17-24-14-6-3-4-7-15(14)26(16)17/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,23,24)/p+2