dimethyl-[[3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-quinazolin-2-yl]methyl]azanium

Systemtic Name: dimethyl-[[3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxidanylidene-quinazolin-2-yl]methyl]azanium Openeye Name: dimethyl-[[3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]-4-oxo-quinazolin-2-yl]methyl]ammonium CAS Name: dimethyl-[[3-[[4-(3-nitrophenyl)-2-thiazolyl]methyl]-4-oxo-2-quinazolinyl]methyl]ammonium IUPAC Name: dimethyl-[[3-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]methyl]-4-oxoquinazolin-2-yl]methyl]azanium Traditional Name: [4-keto-3-[[4-(3-nitrophenyl)thiazol-2-yl]methyl]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H20N5O3S+ MolecularWeight: 422.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=O)N1CC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3S/c1-24(2)11-19-22-17-9-4-3-8-16(17)21(27)25(19)12-20-23-18(13-30-20)14-6-5-7-15(10-14)26(28)29/h3-10,13H,11-12H2,1-2H3/p+1