2-[(4S)-6-bromanyl-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[(4S)-6-bromanyl-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]ethanoic acid Openeye Name: 2-[(4S)-6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]acetic acid CAS Name: 2-[(4S)-6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]acetic acid IUPAC Name: 2-[(4S)-6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]acetic acid Traditional Name: 2-[(4S)-6-bromo-2-methyl-4-phenyl-1,4-dihydroquinazolin-3-ium-3-yl]acetic acid Formula: C17H16BrN2O2+ MolecularWeight: 360.22514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CC1=[N+]([C@H](C2=C(N1)C=CC(=C2)Br)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C17H15BrN2O2/c1-11-19-15-8-7-13(18)9-14(15)17(20(11)10-16(21)22)12-5-3-2-4-6-12/h2-9,17H,10H2,1H3,(H,21,22)/p+1/t17-/m0/s1