5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1H-pyrazole-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1H-pyrazole-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1H-pyrazole-3-carboxamide Traditional Name: 5-(1,3-benzodioxol-5-yloxymethyl)-N-methyl-N-(2-piperidin-1-ium-1-ylethyl)-1H-pyrazole-3-carboxamide Formula: C20H27N4O4+ MolecularWeight: 387.45278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)C(=O)C2=NNC(=C2)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC[NH+]1CCCCC1)C(=O)C2=NNC(=C2)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H26N4O4/c1-23(9-10-24-7-3-2-4-8-24)20(25)17-11-15(21-22-17)13-26-16-5-6-18-19(12-16)28-14-27-18/h5-6,11-12H,2-4,7-10,13-14H2,1H3,(H,21,22)/p+1