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

Systemtic Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Openeye Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile CAS Name: 3-propyl-1-(2-pyridin-1-iumylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile IUPAC Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Traditional Name: 3-propyl-1-(pyridin-1-ium-2-ylmethylamino)-5H-pyrido[1,2-a]benzimidazol-10-ium-4-carbonitrile Formula: C21H21N5+2 MolecularWeight: 343.42494

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC=CC=[NH+]4

Isomeric SMILES

CCCC1=CC(=[N+]2C3=CC=CC=C3NC2=C1C#N)NCC4=CC=CC=[NH+]4

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/h3-6,8-12H,2,7,14H2,1H3,(H,24,25)/p+2