methyl 2-[(8aR)-6-bromanyl-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]ethanoate

Systemtic Name: methyl 2-[(8aR)-6-bromanyl-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]ethanoate Openeye Name: methyl 2-[(8aR)-6-bromo-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetate CAS Name: 2-[(8aR)-6-bromo-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(8aR)-6-bromo-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetate Traditional Name: 2-[(8aR)-6-bromo-2,4-diphenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetic acid methyl ester Formula: C23H20BrN2O2+ MolecularWeight: 436.3211

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=C(NC2C=CC(=CC2=C1C3=CC=CC=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C[N+]1=C(N[C@@H]2C=CC(=CC2=C1C3=CC=CC=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN2O2/c1-28-21(27)15-26-22(16-8-4-2-5-9-16)19-14-18(24)12-13-20(19)25-23(26)17-10-6-3-7-11-17/h2-14,20H,15H2,1H3/p+1/t20-/m1/s1