2-[(2R,4R)-6-bromanyl-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]ethanoate

Systemtic Name: 2-[(2R,4R)-6-bromanyl-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]ethanoate Openeye Name: 2-[(2R,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]acetate CAS Name: 2-[(2R,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]acetate IUPAC Name: 2-[(2R,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]acetate Traditional Name: 2-[(2R,4R)-6-bromo-2-(2-hydroxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazolin-3-ium-3-yl]acetate Formula: C22H19BrN2O3 MolecularWeight: 439.30186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Br)NC([NH+]2CC(=O)[O-])C4=CC=CC=C4O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C3=C(C=CC(=C3)Br)N[C@H]([NH+]2CC(=O)[O-])C4=CC=CC=C4O

InChI

InChI=1S/C22H19BrN2O3/c23-15-10-11-18-17(12-15)21(14-6-2-1-3-7-14)25(13-20(27)28)22(24-18)16-8-4-5-9-19(16)26/h1-12,21-22,24,26H,13H2,(H,27,28)/t21-,22-/m1/s1