3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate

Systemtic Name: 3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate Openeye Name: 3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7-methoxycarbonyl-4-oxo-quinazolin-2-olate CAS Name: 3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-7-methoxycarbonyl-4-oxo-2-quinazolinolate IUPAC Name: 3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-7-methoxycarbonyl-4-oxoquinazolin-2-olate Traditional Name: 7-carbomethoxy-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-quinazolin-2-olate Formula: C20H21N3O5 MolecularWeight: 383.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)[O-])CC(C3=CC=CO3)[NH+]4CCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)[O-])C[C@@H](C3=CC=CO3)[NH+]4CCCC4

InChI

InChI=1S/C20H21N3O5/c1-27-19(25)13-6-7-14-15(11-13)21-20(26)23(18(14)24)12-16(17-5-4-10-28-17)22-8-2-3-9-22/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,21,26)/t16-/m0/s1