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

Systemtic Name: N'-(5-chloranyl-2-cyano-phenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(5-chloro-2-cyano-phenyl)-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(5-chloro-2-cyanophenyl)-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(5-chloro-2-cyanophenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-(5-chloro-2-cyano-phenyl)-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=C(C=CC(=C2)Cl)C#N)CC3=CC=CO3

InChI

InChI=1S/C20H21ClN4O3/c21-16-4-3-15(11-22)18(10-16)24-20(27)19(26)23-12-14-5-7-25(8-6-14)13-17-2-1-9-28-17/h1-4,9-10,14H,5-8,12-13H2,(H,23,26)(H,24,27)/p+1