azanium 2-acetamido-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: azanium 2-acetamido-3-(6-methoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: ammonium 2-acetamido-3-[(6-methoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: ammonium 2-acetamido-3-[(6-methoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: azanium 2-acetamido-3-(6-methoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: ammonium 2-acetamido-3-[(6-methoxy-2-methyl-4-quinolyl)thio]propionate Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)[O-])NC(=O)C.[NH4+]

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC)C(=C1)SCC(C(=O)[O-])NC(=O)C.[NH4+]

InChI

InChI=1S/C16H18N2O4S.H3N/c1-9-6-15(23-8-14(16(20)21)18-10(2)19)12-7-11(22-3)4-5-13(12)17-9;/h4-7,14H,8H2,1-3H3,(H,18,19)(H,20,21);1H3