N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-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'-piperonyl-oxamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C21H25N3O5/c25-20(21(26)23-12-16-3-4-18-19(10-16)29-14-28-18)22-11-15-5-7-24(8-6-15)13-17-2-1-9-27-17/h1-4,9-10,15H,5-8,11-14H2,(H,22,25)(H,23,26)/p+1