N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-[2-(1-pyrrolidinyl)ethyl]-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-6-(1H-pyrazol-2-ium-2-yl)-N-(2-pyrrolidinoethyl)nicotinamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

Isomeric SMILES

C1CCN(C1)CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=CN=C(C=C4)[N+]5=CC=CN5

InChI

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