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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methoxy-5-methyl-phenyl)ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(2-methoxy-5-methylphenyl)oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

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