3-[(2S)-2-(dimethylazaniumyl)-2-(furan-2-yl)ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate

Systemtic Name: 3-[(2S)-2-(dimethylazaniumyl)-2-(furan-2-yl)ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate Openeye Name: 3-[(2S)-2-(dimethylammonio)-2-(2-furyl)ethyl]-7-methoxycarbonyl-4-oxo-quinazolin-2-olate CAS Name: 3-[(2S)-2-(dimethylammonio)-2-(2-furanyl)ethyl]-7-methoxycarbonyl-4-oxo-2-quinazolinolate IUPAC Name: 3-[(2S)-2-(dimethylazaniumyl)-2-(furan-2-yl)ethyl]-7-methoxycarbonyl-4-oxoquinazolin-2-olate Traditional Name: 7-carbomethoxy-3-[(2S)-2-(dimethylammonio)-2-(2-furyl)ethyl]-4-keto-quinazolin-2-olate Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])C3=CC=CO3

Isomeric SMILES

C[NH+](C)[C@@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1[O-])C3=CC=CO3

InChI

InChI=1S/C18H19N3O5/c1-20(2)14(15-5-4-8-26-15)10-21-16(22)12-7-6-11(17(23)25-3)9-13(12)19-18(21)24/h4-9,14H,10H2,1-3H3,(H,19,24)/t14-/m0/s1