3,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (3-ethyl-2-propyl-quinolin-4-yl)azanium

Systemtic Name: 3,4-bis(oxidanyl)-4-oxidanylidene-butanoate; (3-ethyl-2-propyl-quinolin-4-yl)azanium Openeye Name: 3,4-dihydroxy-4-oxo-butanoate; (3-ethyl-2-propyl-4-quinolyl)ammonium CAS Name: 3,4-dihydroxy-4-oxobutanoate; (3-ethyl-2-propyl-4-quinolinyl)ammonium IUPAC Name: 3,4-dihydroxy-4-oxobutanoate; (3-ethyl-2-propylquinolin-4-yl)azanium Traditional Name: 3,4-dihydroxy-4-keto-butyrate; (3-ethyl-2-propyl-4-quinolyl)ammonium Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)[NH3+].C(C(C(=O)O)O)C(=O)[O-]

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)[NH3+].C(C(C(=O)O)O)C(=O)[O-]

InChI

InChI=1S/C14H18N2.C4H6O5/c1-3-7-12-10(4-2)14(15)11-8-5-6-9-13(11)16-12;5-2(4(8)9)1-3(6)7/h5-6,8-9H,3-4,7H2,1-2H3,(H2,15,16);2,5H,1H2,(H,6,7)(H,8,9)