2-(6-bromanyl-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)ethanoate

Systemtic Name: 2-(6-bromanyl-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)ethanoate Openeye Name: 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)acetate CAS Name: 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)acetate IUPAC Name: 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)acetate Traditional Name: 2-(6-bromo-2-methyl-4-phenyl-3,4-dihydroquinazolin-3-ium-3-yl)acetate Formula: C17H15BrN2O2 MolecularWeight: 359.2172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C([NH+]1CC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C([NH+]1CC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H15BrN2O2/c1-11-19-15-8-7-13(18)9-14(15)17(20(11)10-16(21)22)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,21,22)