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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(4-methylphenyl)ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(p-tolyl)oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-(4-methylphenyl)oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(4-methylphenyl)oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-(p-tolyl)oxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3/c1-15-4-6-17(7-5-15)22-20(25)19(24)21-13-16-8-10-23(11-9-16)14-18-3-2-12-26-18/h2-7,12,16H,8-11,13-14H2,1H3,(H,21,24)(H,22,25)/p+1