N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25N4O4+ MolecularWeight: 397.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4)OCO2

InChI

InChI=1S/C21H24N4O4/c1-15(26)17-10-19-20(29-14-28-19)11-18(17)23-21(27)13-25-8-6-24(7-9-25)12-16-4-2-3-5-22-16/h2-5,10-11H,6-9,12-14H2,1H3,(H,23,27)/p+1