N-(1,3-benzodioxol-5-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyridine-3-carboxamide Traditional Name: N-piperonyl-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)nicotinamide Formula: C23H27N5O3+2 MolecularWeight: 421.49218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

Isomeric SMILES

C1CC[NH+](C1)CCN(CC2=CC3=C(C=C2)OCO3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

InChI

InChI=1S/C23H25N5O3/c29-23(19-5-7-22(24-15-19)28-11-3-8-25-28)27(13-12-26-9-1-2-10-26)16-18-4-6-20-21(14-18)31-17-30-20/h3-8,11,14-15H,1-2,9-10,12-13,16-17H2/p+2