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

Systemtic Name: ethyl 2-[(8aR)-6-bromanyl-2-methyl-4-phenyl-1,8a-dihydroquinazolin-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(8aR)-6-bromo-2-methyl-4-phenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetate CAS Name: 2-[(8aR)-6-bromo-2-methyl-4-phenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(8aR)-6-bromo-2-methyl-4-phenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetate Traditional Name: 2-[(8aR)-6-bromo-2-methyl-4-phenyl-1,8a-dihydroquinazolin-3-ium-3-yl]acetic acid ethyl ester Formula: C19H20BrN2O2+ MolecularWeight: 388.2783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O2/c1-3-24-18(23)12-22-13(2)21-17-10-9-15(20)11-16(17)19(22)14-7-5-4-6-8-14/h4-11,17H,3,12H2,1-2H3/p+1/t17-/m1/s1