2-(4-methylquinolin-2-yl)sulfanylethanoate; morpholin-4-ium

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanylethanoate; morpholin-4-ium Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]acetate; morpholin-4-ium CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetate; morpholin-4-ium IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanylacetate; morpholin-4-ium Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetate; morpholin-4-ium Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)[O-].C1COCC[NH2+]1

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)[O-].C1COCC[NH2+]1

InChI

InChI=1S/C12H11NO2S.C4H9NO/c1-8-6-11(16-7-12(14)15)13-10-5-3-2-4-9(8)10;1-3-6-4-2-5-1/h2-6H,7H2,1H3,(H,14,15);5H,1-4H2