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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-[(4-methylphenyl)methyl]ethanediamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-N'-(p-tolylmethyl)oxamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-N'-[(4-methylphenyl)methyl]oxamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-N'-[(4-methylphenyl)methyl]oxamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-N'-(4-methylbenzyl)oxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-16-4-6-17(7-5-16)13-22-20(25)21(26)23-14-18-8-10-24(11-9-18)15-19-3-2-12-27-19/h2-7,12,18H,8-11,13-15H2,1H3,(H,22,25)(H,23,26)/p+1