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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenylacetamide Traditional Name: N-phenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C20H25N3O3+2 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3/c24-20(21-17-4-2-1-3-5-17)14-23-10-8-22(9-11-23)13-16-6-7-18-19(12-16)26-15-25-18/h1-7,12H,8-11,13-15H2,(H,21,24)/p+2