1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1H-indol-3-yl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1H-indol-3-yl)ethanone Traditional Name: 2-(1H-indol-3-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C22H23N3O3/c26-22(12-17-13-23-19-4-2-1-3-18(17)19)25-9-7-24(8-10-25)14-16-5-6-20-21(11-16)28-15-27-20/h1-6,11,13,23H,7-10,12,14-15H2/p+1