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

Systemtic Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethylazanium Traditional Name: 3-[[4-cyano-2-(2-cyanoethyl)-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-ammonium Formula: C23H30N6+2 MolecularWeight: 390.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC#N

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CCC#N

InChI

InChI=1S/C23H28N6/c1-4-28(5-2)15-9-14-26-22-18(10-8-13-24)17(3)19(16-25)23-27-20-11-6-7-12-21(20)29(22)23/h6-7,11-12H,4-5,8-10,14-15H2,1-3H3,(H,26,27)/p+2