3-propan-2-yl-1-(pyridin-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile

Systemtic Name: 3-propan-2-yl-1-(pyridin-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-isopropyl-1-(2-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-propan-2-yl-1-(2-pyridinylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-propan-2-yl-1-(pyridin-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-isopropyl-1-(2-pyridylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H20N5+ MolecularWeight: 342.417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC=CC=N4

Isomeric SMILES

CC(C)C1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC=CC=N4

InChI

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