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

Systemtic Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Openeye Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile CAS Name: 3-propyl-1-(2-pyridin-1-iumylmethylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile IUPAC Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)pyrido[1,2-a]benzimidazole-4-carbonitrile Traditional Name: 3-propyl-1-(pyridin-1-ium-2-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=CC=CC=[NH+]4)C#N

Isomeric SMILES

CCCC1=C(C2=NC3=CC=CC=C3N2C(=C1)NCC4=CC=CC=[NH+]4)C#N

InChI

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