4-cyano-3-(pyridin-1-ium-1-ylmethyl)pyrido[1,2-a]benzimidazol-1-olate

Systemtic Name: 4-cyano-3-(pyridin-1-ium-1-ylmethyl)pyrido[1,2-a]benzimidazol-1-olate Openeye Name: 4-cyano-3-(pyridin-1-ium-1-ylmethyl)pyrido[1,2-a]benzimidazol-1-olate CAS Name: 4-cyano-3-(1-pyridin-1-iumylmethyl)-1-pyrido[1,2-a]benzimidazololate IUPAC Name: 4-cyano-3-(pyridin-1-ium-1-ylmethyl)pyrido[1,2-a]benzimidazol-1-olate Traditional Name: 4-cyano-3-(pyridin-1-ium-1-ylmethyl)pyrido[1,2-a]benzimidazol-1-olate Formula: C18H12N4O MolecularWeight: 300.31408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=C(C3=NC4=CC=CC=C4N3C(=C2)[O-])C#N

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=C(C3=NC4=CC=CC=C4N3C(=C2)[O-])C#N

InChI

InChI=1S/C18H12N4O/c19-11-14-13(12-21-8-4-1-5-9-21)10-17(23)22-16-7-3-2-6-15(16)20-18(14)22/h1-10H,12H2