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

Systemtic Name: N'-(4-ethoxyphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(4-ethoxyphenyl)-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(4-ethoxyphenyl)-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(4-ethoxyphenyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-p-phenetyl-oxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O4/c1-2-27-18-7-5-17(6-8-18)23-21(26)20(25)22-14-16-9-11-24(12-10-16)15-19-4-3-13-28-19/h3-8,13,16H,2,9-12,14-15H2,1H3,(H,22,25)(H,23,26)/p+1