N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-piperonylamide Formula: C19H21N4O4+ MolecularWeight: 369.39444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N4O4/c24-18(23-9-7-22(8-10-23)17-3-1-2-6-20-17)12-21-19(25)14-4-5-15-16(11-14)27-13-26-15/h1-6,11H,7-10,12-13H2,(H,21,25)/p+1