[(1S)-2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H22BrN4O2S+ MolecularWeight: 450.37258

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)CCN1C=NC2=C(C1=O)C=C(C=C2)Br)C3=CSC=C3

InChI

InChI=1S/C19H21BrN4O2S/c1-23(2)17(13-6-8-27-11-13)10-21-18(25)5-7-24-12-22-16-4-3-14(20)9-15(16)19(24)26/h3-4,6,8-9,11-12,17H,5,7,10H2,1-2H3,(H,21,25)/p+1/t17-/m1/s1