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

Systemtic Name: 3-[[4-cyano-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethyl-azanium Openeye Name: 3-[(2-benzyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium CAS Name: 3-[[4-cyano-3-methyl-2-(phenylmethyl)-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl]amino]propyl-diethylammonium IUPAC Name: 3-[(2-benzyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethylazanium Traditional Name: 3-[(2-benzyl-4-cyano-3-methyl-5H-pyrido[1,2-a]benzimidazol-10-ium-1-yl)amino]propyl-diethyl-ammonium Formula: C27H33N5+2 MolecularWeight: 427.58442

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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)CC4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCCNC1=C(C(=C(C2=[N+]1C3=CC=CC=C3N2)C#N)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5/c1-4-31(5-2)17-11-16-29-26-22(18-21-12-7-6-8-13-21)20(3)23(19-28)27-30-24-14-9-10-15-25(24)32(26)27/h6-10,12-15H,4-5,11,16-18H2,1-3H3,(H,29,30)/p+2