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

Systemtic Name: 3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-methyl-1-(3-pyridin-1-iumylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-methyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C19H16N5+ MolecularWeight: 314.36384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=C[NH+]=CC=C4)C#N

Isomeric SMILES

CC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=C[NH+]=CC=C4)C#N

InChI

InChI=1S/C19H15N5/c1-13-9-18(22-12-14-5-4-8-21-11-14)24-17-7-3-2-6-16(17)23-19(24)15(13)10-20/h2-9,11,22H,12H2,1H3/p+1