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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NC3=CC=CC=C3SC)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC=CC=C3SC)[NH+]4CCCCC4

InChI

InChI=1S/C25H32N4O2S/c1-28-15-12-19-16-18(10-11-21(19)28)22(29-13-6-3-7-14-29)17-26-24(30)25(31)27-20-8-4-5-9-23(20)32-2/h4-5,8-11,16,22H,3,6-7,12-15,17H2,1-2H3,(H,26,30)(H,27,31)/p+1/t22-/m0/s1