N-(1,3-benzodioxol-5-ylmethyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-methoxy-4-oxo-2-(1-piperidin-1-iumylmethyl)-1-pyridinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]acetamide Traditional Name: 2-[4-keto-5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]-N-piperonyl-acetamide Formula: C22H28N3O5+ MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCC2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5/c1-28-21-13-25(17(10-18(21)26)12-24-7-3-2-4-8-24)14-22(27)23-11-16-5-6-19-20(9-16)30-15-29-19/h5-6,9-10,13H,2-4,7-8,11-12,14-15H2,1H3,(H,23,27)/p+1