(2R)-N-(2-methoxyethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]oxolane-2-carboxamide

Systemtic Name: (2R)-N-(2-methoxyethyl)-N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]oxolane-2-carboxamide Openeye Name: (2R)-N-(2-methoxyethyl)-N-[(7-methylsulfanyl-2-morpholino-quinolin-1-ium-3-yl)methyl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-(2-methoxyethyl)-N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-(2-methoxyethyl)-N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]oxolane-2-carboxamide Traditional Name: (2R)-N-(2-methoxyethyl)-N-[[7-(methylthio)-2-morpholino-quinolin-1-ium-3-yl]methyl]tetrahydrofuran-2-carboxamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=C([NH+]=C2C=C(C=CC2=C1)SC)N3CCOCC3)C(=O)C4CCCO4

Isomeric SMILES

COCCN(CC1=C([NH+]=C2C=C(C=CC2=C1)SC)N3CCOCC3)C(=O)[C@H]4CCCO4

InChI

InChI=1S/C23H31N3O4S/c1-28-11-7-26(23(27)21-4-3-10-30-21)16-18-14-17-5-6-19(31-2)15-20(17)24-22(18)25-8-12-29-13-9-25/h5-6,14-15,21H,3-4,7-13,16H2,1-2H3/p+1/t21-/m1/s1