3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate

Systemtic Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxycarbonyl-4-oxidanylidene-quinazolin-2-olate Openeye Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxycarbonyl-4-oxo-quinazolin-2-olate CAS Name: 3-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-7-methoxycarbonyl-4-oxo-2-quinazolinolate IUPAC Name: 3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-7-methoxycarbonyl-4-oxoquinazolin-2-olate Traditional Name: 7-carbomethoxy-3-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-4-keto-quinazolin-2-olate Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CN2C(=O)C3=C(C=C(C=C3)C(=O)OC)N=C2[O-]

InChI

InChI=1S/C17H21N3O4/c1-3-19-8-4-5-12(19)10-20-15(21)13-7-6-11(16(22)24-2)9-14(13)18-17(20)23/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,23)/t12-/m0/s1