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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(4-phenyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanone Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C24H32N4O3+2 MolecularWeight: 424.53588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H30N4O3/c29-24(18-26-8-12-27(13-9-26)21-4-2-1-3-5-21)28-14-10-25(11-15-28)17-20-6-7-22-23(16-20)31-19-30-22/h1-7,16H,8-15,17-19H2/p+2