[(4S)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] ethanoate

Systemtic Name: [(4S)-4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] ethanoate Openeye Name: [(4S)-4-(3-chloro-4-fluoro-anilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] acetate CAS Name: acetic acid [(4S)-4-(3-chloro-4-fluoroanilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] ester IUPAC Name: [(4S)-4-(3-chloro-4-fluoroanilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] acetate Traditional Name: acetic acid [(4S)-4-(3-chloro-4-fluoro-anilino)-7-methoxy-1,4-dihydroquinazolin-3-ium-6-yl] ester Formula: C17H16ClFN3O3+ MolecularWeight: 364.778643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(=C1)C([NH+]=CN2)NC3=CC(=C(C=C3)F)Cl)OC

Isomeric SMILES

CC(=O)OC1=C(C=C2C(=C1)[C@H]([NH+]=CN2)NC3=CC(=C(C=C3)F)Cl)OC

InChI

InChI=1S/C17H15ClFN3O3/c1-9(23)25-16-6-11-14(7-15(16)24-2)20-8-21-17(11)22-10-3-4-13(19)12(18)5-10/h3-8,17,22H,1-2H3,(H,20,21)/p+1/t17-/m1/s1