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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NCCC2=CC=CC=C2)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NCCC2=CC=CC=C2)CC3=CC=CO3

InChI

InChI=1S/C21H27N3O3/c25-20(22-11-8-17-5-2-1-3-6-17)21(26)23-15-18-9-12-24(13-10-18)16-19-7-4-14-27-19/h1-7,14,18H,8-13,15-16H2,(H,22,25)(H,23,26)/p+1