N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-piperonyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C19H24N4O3+2 MolecularWeight: 356.41886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H22N4O3/c24-19(21-12-15-4-5-16-17(11-15)26-14-25-16)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11H,7-10,12-14H2,(H,21,24)/p+2