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

Systemtic Name: N'-(3-methylsulfanylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N'-[3-(methylthio)phenyl]-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-methylsulfanylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C18H28N3O2S+ MolecularWeight: 350.49882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-13(2)21-9-7-14(8-10-21)12-19-17(22)18(23)20-15-5-4-6-16(11-15)24-3/h4-6,11,13-14H,7-10,12H2,1-3H3,(H,19,22)(H,20,23)/p+1