N'-(5-chloranyl-2-methoxy-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(5-chloranyl-2-methoxy-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(5-chloro-2-methoxy-phenyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(5-chloro-2-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(5-chloro-2-methoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(5-chloro-2-methoxy-phenyl)-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C20H25ClN3O3S+ MolecularWeight: 422.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3S/c1-27-18-5-4-15(21)11-17(18)23-20(26)19(25)22-12-14-6-8-24(9-7-14)13-16-3-2-10-28-16/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,22,25)(H,23,26)/p+1