3-[(3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(3S)-3-ammonio-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(3S)-3-azaniumyl-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(3S)-3-ammonio-3-(1,3-benzodioxol-5-yl)propanoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)CC(C3=CC4=C(C=C3)OCO4)[NH3+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)C[C@@H](C3=CC4=C(C=C3)OCO4)[NH3+]

InChI

InChI=1S/C20H18N2O5/c1-22-14-5-3-2-4-12(14)19(24)18(20(22)25)15(23)9-13(21)11-6-7-16-17(8-11)27-10-26-16/h2-8,13,25H,9-10,21H2,1H3/t13-/m0/s1