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

Systemtic Name: N'-[(4-methoxyphenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-[(4-methoxyphenyl)methyl]-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-[(4-methoxyphenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-[(4-methoxyphenyl)methyl]-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-p-anisyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-27-18-6-4-16(5-7-18)13-22-20(25)21(26)23-14-17-8-10-24(11-9-17)15-19-3-2-12-28-19/h2-7,12,17H,8-11,13-15H2,1H3,(H,22,25)(H,23,26)/p+1