4-[6-bromanyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate

Systemtic Name: 4-[6-bromanyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Openeye Name: 4-[6-bromo-3-(2-methoxy-2-oxo-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate CAS Name: 4-[6-bromo-3-(2-methoxy-2-oxoethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate IUPAC Name: 4-[6-bromo-3-(2-methoxy-2-oxoethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Traditional Name: 4-[6-bromo-3-(2-keto-2-methoxy-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1C(C2=C(C=CC(=C2)Br)NC1C3=CC=C(C=C3)[O-])C4=CC=CC=C4

Isomeric SMILES

COC(=O)C[NH+]1C(C2=C(C=CC(=C2)Br)NC1C3=CC=C(C=C3)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN2O3/c1-29-21(28)14-26-22(15-5-3-2-4-6-15)19-13-17(24)9-12-20(19)25-23(26)16-7-10-18(27)11-8-16/h2-13,22-23,25,27H,14H2,1H3