N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1-morpholinocyclohexyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[[1-(4-morpholinyl)cyclohexyl]methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(1-morpholinocyclohexyl)methyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=CC=CC=[N+]2[O-])N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=CC=CC=[N+]2[O-])N3CCOCC3

InChI

InChI=1S/C18H27N3O3S/c22-16(14-25-17-6-2-5-9-21(17)23)19-15-18(7-3-1-4-8-18)20-10-12-24-13-11-20/h2,5-6,9H,1,3-4,7-8,10-15H2,(H,19,22)