[(2R)-2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2R)-2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2R)-2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2R)-2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2R)-2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2R)-2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

C[NH+](C)C[C@@H](C1=CC=CC=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4O2/c1-25(2)13-19(15-6-4-3-5-7-15)24-20(27)10-11-26-14-23-18-9-8-16(22)12-17(18)21(26)28/h3-9,12,14,19H,10-11,13H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1