N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-N'-(3-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-N'-(3-methylsulfanylphenyl)ethanediamide Openeye Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methyl]-N'-[3-(methylthio)phenyl]oxamide IUPAC Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-N'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COCC[NH+]1CCC(CC1)CNC(=O)C(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H27N3O3S/c1-24-11-10-21-8-6-14(7-9-21)13-19-17(22)18(23)20-15-4-3-5-16(12-15)25-2/h3-5,12,14H,6-11,13H2,1-2H3,(H,19,22)(H,20,23)/p+1