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

Systemtic Name: 3-propyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-propyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-propyl-1-(3-pyridin-1-iumylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-propyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-propyl-1-(pyridin-1-ium-3-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Formula: C21H20N5+ MolecularWeight: 342.417

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=C[NH+]=CC=C4)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=C[NH+]=CC=C4)C#N

InChI

InChI=1S/C21H19N5/c1-2-6-16-11-20(24-14-15-7-5-10-23-13-15)26-19-9-4-3-8-18(19)25-21(26)17(16)12-22/h3-5,7-11,13,24H,2,6,14H2,1H3/p+1