N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)ethanediamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-N'-[2-(methylthio)phenyl]oxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-[2-(methylthio)phenyl]oxamide Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C20H29N3O2S/c1-26-18-9-5-4-8-17(18)22-20(25)19(24)21-14-15-10-12-23(13-11-15)16-6-2-3-7-16/h4-5,8-9,15-16H,2-3,6-7,10-14H2,1H3,(H,21,24)(H,22,25)/p+1