2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(4-ethoxyphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide Traditional Name: 2-(4-piperonylpiperazin-1-ium-1-yl)-N-p-phenetyl-acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c1-2-27-19-6-4-18(5-7-19)23-22(26)15-25-11-9-24(10-12-25)14-17-3-8-20-21(13-17)29-16-28-20/h3-8,13H,2,9-12,14-16H2,1H3,(H,23,26)/p+1