azanium 2-acetamido-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: azanium 2-acetamido-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: ammonium 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: ammonium 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: azanium 2-acetamido-3-(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: ammonium 2-acetamido-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)thio]propionate Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)[O-])NC(=O)C)OC)OC.[NH4+]

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)[O-])NC(=O)C)OC)OC.[NH4+]

InChI

InChI=1S/C17H20N2O5S.H3N/c1-9-7-14(25-8-11(17(21)22)19-10(2)20)15-12(23-3)5-6-13(24-4)16(15)18-9;/h5-7,11H,8H2,1-4H3,(H,19,20)(H,21,22);1H3