N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(7-methylsulfanyl-2-morpholin-4-yl-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide Openeye Name: N-[(7-methylsulfanyl-2-morpholino-quinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiazole-5-carboxamide CAS Name: N-[[7-(methylthio)-2-(4-morpholinyl)-3-quinolin-1-iumyl]methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-5-thiazolecarboxamide IUPAC Name: N-[(7-methylsulfanyl-2-morpholin-4-ylquinolin-1-ium-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide Traditional Name: N-[3-(2-ketopyrrolidino)propyl]-N-[[7-(methylthio)-2-morpholino-quinolin-1-ium-3-yl]methyl]thiazole-5-carboxamide Formula: C26H32N5O3S2+ MolecularWeight: 526.69398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCN3CCCC3=O)C(=O)C4=CN=CS4)N5CCOCC5

Isomeric SMILES

CSC1=CC2=[NH+]C(=C(C=C2C=C1)CN(CCCN3CCCC3=O)C(=O)C4=CN=CS4)N5CCOCC5

InChI

InChI=1S/C26H31N5O3S2/c1-35-21-6-5-19-14-20(25(28-22(19)15-21)30-10-12-34-13-11-30)17-31(26(33)23-16-27-18-36-23)9-3-8-29-7-2-4-24(29)32/h5-6,14-16,18H,2-4,7-13,17H2,1H3/p+1