N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methylsulfanylphenyl)ethanediamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methylsulfanylphenyl)ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methylsulfanylphenyl)oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-[2-(methylthio)phenyl]oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-[2-(methylthio)phenyl]oxamide Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C20H25N3O3S/c1-27-18-7-3-2-6-17(18)22-20(25)19(24)21-13-15-8-10-23(11-9-15)14-16-5-4-12-26-16/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1