phenyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylate

Systemtic Name: phenyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylate Openeye Name: phenyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylate CAS Name: 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylic acid phenyl ester IUPAC Name: phenyl 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylate Traditional Name: 1,3-diphenyl-2H-quinazolin-3-ium-8-carboxylic acid phenyl ester Formula: C27H21N2O2+ MolecularWeight: 405.46784

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=C(C=CC=C2C(=O)OC3=CC=CC=C3)C=[N+]1C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1N(C2=C(C=CC=C2C(=O)OC3=CC=CC=C3)C=[N+]1C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H21N2O2/c30-27(31-24-16-8-3-9-17-24)25-18-10-11-21-19-28(22-12-4-1-5-13-22)20-29(26(21)25)23-14-6-2-7-15-23/h1-19H,20H2/q+1