[3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]-pyridin-1-ium-1-yl-methanone

Systemtic Name: [3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]-pyridin-1-ium-1-yl-methanone Openeye Name: [3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]-pyridin-1-ium-1-yl-methanone CAS Name: [3-[(2-phenyl-4-quinazolinyl)amino]-1H-1,2,4-triazol-5-yl]-(1-pyridin-1-iumyl)methanone IUPAC Name: [3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]-pyridin-1-ium-1-ylmethanone Traditional Name: [3-[(2-phenylquinazolin-4-yl)amino]-1H-1,2,4-triazol-5-yl]-pyridin-1-ium-1-yl-methanone Formula: C22H16N7O+ MolecularWeight: 394.40874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C(=O)[N+]5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=N4)C(=O)[N+]5=CC=CC=C5

InChI

InChI=1S/C22H15N7O/c30-21(29-13-7-2-8-14-29)20-26-22(28-27-20)25-19-16-11-5-6-12-17(16)23-18(24-19)15-9-3-1-4-10-15/h1-14H,(H-,23,24,25,26,27,28,30)/p+1