(2S)-2-azaniumyl-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-(5,8-dimethoxy-2-methyl-quinolin-4-yl)sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)sulfanyl]propanoate CAS Name: (2S)-2-ammonio-3-[(5,8-dimethoxy-2-methyl-4-quinolinyl)thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-(5,8-dimethoxy-2-methylquinolin-4-yl)sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[(5,8-dimethoxy-2-methyl-4-quinolyl)thio]propionate Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2C(=C1)SCC(C(=O)[O-])[NH3+])OC)OC

Isomeric SMILES

CC1=NC2=C(C=CC(=C2C(=C1)SC[C@H](C(=O)[O-])[NH3+])OC)OC

InChI

InChI=1S/C15H18N2O4S/c1-8-6-12(22-7-9(16)15(18)19)13-10(20-2)4-5-11(21-3)14(13)17-8/h4-6,9H,7,16H2,1-3H3,(H,18,19)/t9-/m1/s1