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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 1-(4-phenylpiperazino)-2-(4-piperonylpiperazine-1,4-diium-1-yl)ethanone Formula: C24H32N4O3+2 MolecularWeight: 424.53588

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

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