1-(6-bromanyl-4-phenyl-quinazolin-2-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(6-bromanyl-4-phenyl-quinazolin-2-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(6-bromo-4-phenyl-quinazolin-2-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(6-bromo-4-phenyl-2-quinazolinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(6-bromo-4-phenylquinazolin-2-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(6-bromo-4-phenyl-quinazolin-2-yl)pyrrolidin-1-ium-2-carboxylate Formula: C19H16BrN3O2 MolecularWeight: 398.25324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CC([NH+](C1)C2=NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C19H16BrN3O2/c20-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)22-19(21-15)23-10-4-7-16(23)18(24)25/h1-3,5-6,8-9,11,16H,4,7,10H2,(H,24,25)