2-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonyl-4-oxidanyl-thiomorpholin-4-ium-3-yl]ethanamide

Systemtic Name: 2-[4-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonyl-4-oxidanyl-thiomorpholin-4-ium-3-yl]ethanamide Openeye Name: 2-[4-hydroxy-4-[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]thiomorpholin-4-ium-3-yl]acetamide CAS Name: 2-[4-hydroxy-4-[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]-3-thiomorpholin-4-iumyl]acetamide IUPAC Name: 2-[4-hydroxy-4-[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]thiomorpholin-4-ium-3-yl]acetamide Traditional Name: 2-[4-hydroxy-4-[4-[(2-methyl-4-quinolyl)methoxy]benzoyl]thiomorpholin-4-ium-3-yl]acetamide Formula: C24H26N3O4S+ MolecularWeight: 452.54594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)[N+]4(CCSCC4CC(=O)N)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)[N+]4(CCSCC4CC(=O)N)O

InChI

InChI=1S/C24H25N3O4S/c1-16-12-18(21-4-2-3-5-22(21)26-16)14-31-20-8-6-17(7-9-20)24(29)27(30)10-11-32-15-19(27)13-23(25)28/h2-9,12,19,30H,10-11,13-15H2,1H3,(H-,25,28)/p+1