2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-benzyl-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-benzyl-N-methylacetamide Traditional Name: N-benzyl-N-methyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-23(14-18-5-3-2-4-6-18)22(26)16-25-11-9-24(10-12-25)15-19-7-8-20-21(13-19)28-17-27-20/h2-8,13H,9-12,14-17H2,1H3/p+2