2-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(3-pyridin-1-iumylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 2-(4-chlorobenzyl)-3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C26H21ClN5+ MolecularWeight: 438.93144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)NCC5=C[NH+]=CC=C5)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1CC4=CC=C(C=C4)Cl)NCC5=C[NH+]=CC=C5)C#N

InChI

InChI=1S/C26H20ClN5/c1-17-21(13-18-8-10-20(27)11-9-18)25(30-16-19-5-4-12-29-15-19)32-24-7-3-2-6-23(24)31-26(32)22(17)14-28/h2-12,15,30H,13,16H2,1H3/p+1