6-(azocan-1-ium-1-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide

Systemtic Name: 6-(azocan-1-ium-1-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: 6-(azocan-1-ium-1-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide CAS Name: 6-(1-azocan-1-iumylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide IUPAC Name: 6-(azocan-1-ium-1-ylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-2-oxo-1H-pyridine-3-carboxamide Traditional Name: 6-(azocan-1-ium-1-ylmethyl)-2-keto-N-piperonyl-1H-pyridine-3-carboxamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c26-21(23-13-16-6-9-19-20(12-16)29-15-28-19)18-8-7-17(24-22(18)27)14-25-10-4-2-1-3-5-11-25/h6-9,12H,1-5,10-11,13-15H2,(H,23,26)(H,24,27)/p+1