2-[4-[(dimethylazaniumyl)methyl]phenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: 2-[4-[(dimethylammonio)methyl]phenyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[4-[(dimethylammonio)methyl]phenyl]-4-oxo-1H-quinazoline-7-carboxylate IUPAC Name: 2-[4-[(dimethylazaniumyl)methyl]phenyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[4-[(dimethylammonio)methyl]phenyl]-4-keto-1H-quinazoline-7-carboxylate Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H17N3O3/c1-21(2)10-11-3-5-12(6-4-11)16-19-15-9-13(18(23)24)7-8-14(15)17(22)20-16/h3-9H,10H2,1-2H3,(H,23,24)(H,19,20,22)