N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide Openeye Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide IUPAC Name: N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NC3=CC(=CC=C3)SC)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC(=CC=C3)SC)[NH+]4CCCCC4

InChI

InChI=1S/C25H32N4O2S/c1-28-14-11-19-15-18(9-10-22(19)28)23(29-12-4-3-5-13-29)17-26-24(30)25(31)27-20-7-6-8-21(16-20)32-2/h6-10,15-16,23H,3-5,11-14,17H2,1-2H3,(H,26,30)(H,27,31)/p+1/t23-/m0/s1