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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: N-(2-ethylphenyl)-2-(4-piperonyloylpiperazin-1-ium-1-yl)acetamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c1-2-16-5-3-4-6-18(16)23-21(26)14-24-9-11-25(12-10-24)22(27)17-7-8-19-20(13-17)29-15-28-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,26)/p+1