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

Systemtic Name: 4-[6-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Openeye Name: 4-[6-bromo-3-(2-ethoxy-2-oxo-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate CAS Name: 4-[6-bromo-3-(2-ethoxy-2-oxoethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate IUPAC Name: 4-[6-bromo-3-(2-ethoxy-2-oxoethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Traditional Name: 4-[6-bromo-3-(2-ethoxy-2-keto-ethyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-2-yl]phenolate Formula: C24H23BrN2O3 MolecularWeight: 467.35502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrN2O3/c1-2-30-22(29)15-27-23(16-6-4-3-5-7-16)20-14-18(25)10-13-21(20)26-24(27)17-8-11-19(28)12-9-17/h3-14,23-24,26,28H,2,15H2,1H3