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

Systemtic Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]oxamide CAS Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N'-(1,3-benzodioxol-5-ylmethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]oxamide Traditional Name: N'-piperonyl-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]oxamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C21H25N3O4S/c25-20(21(26)23-12-16-3-4-18-19(10-16)28-14-27-18)22-11-15-5-7-24(8-6-15)13-17-2-1-9-29-17/h1-4,9-10,15H,5-8,11-14H2,(H,22,25)(H,23,26)/p+1