N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)ethanediamide Openeye Name: N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-(3-methylsulfanylphenyl)oxamide CAS Name: N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(1-piperidin-1-iumyl)ethyl]-N'-[3-(methylthio)phenyl]oxamide IUPAC Name: N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-ylethyl]-N'-(3-methylsulfanylphenyl)oxamide Traditional Name: N-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-piperidin-1-ium-1-yl-ethyl]-N'-[3-(methylthio)phenyl]oxamide Formula: C26H35N4O2S+ MolecularWeight: 467.6467

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC2=C1C=CC(=C2)C(CNC(=O)C(=O)NC3=CC(=CC=C3)SC)[NH+]4CCCCC4

Isomeric SMILES

CN1CCCC2=C1C=CC(=C2)[C@H](CNC(=O)C(=O)NC3=CC(=CC=C3)SC)[NH+]4CCCCC4

InChI

InChI=1S/C26H34N4O2S/c1-29-13-7-8-19-16-20(11-12-23(19)29)24(30-14-4-3-5-15-30)18-27-25(31)26(32)28-21-9-6-10-22(17-21)33-2/h6,9-12,16-17,24H,3-5,7-8,13-15,18H2,1-2H3,(H,27,31)(H,28,32)/p+1/t24-/m0/s1