3-[[4-cyano-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-diethyl-azanium

Systemtic Name: 3-[[4-cyano-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-cyano-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-3-(trifluoromethyl)-1-pyrido[1,2-a]benzimidazolyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-cyano-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-cyano-3-(trifluoromethyl)pyrido[1,2-a]benzimidazol-1-yl]amino]propyl-diethyl-ammonium Formula: C20H23F3N5+ MolecularWeight: 390.42533

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(F)(F)F

Isomeric SMILES

CC[NH+](CC)CCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C(F)(F)F

InChI

InChI=1S/C20H22F3N5/c1-3-27(4-2)11-7-10-25-18-12-15(20(21,22)23)14(13-24)19-26-16-8-5-6-9-17(16)28(18)19/h5-6,8-9,12,25H,3-4,7,10-11H2,1-2H3/p+1