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

Systemtic Name: N'-(2-ethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(2-ethoxyphenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(2-ethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(2-ethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-o-phenetyl-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:

CCOC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-19-8-4-3-7-18(19)23-21(26)20(25)22-14-16-9-11-24(12-10-16)15-17-6-5-13-28-17/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1