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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5/c1-28-21-13-25(17(11-18(21)26)12-24-8-4-2-3-5-9-24)14-22(27)23-16-6-7-19-20(10-16)30-15-29-19/h6-7,10-11,13H,2-5,8-9,12,14-15H2,1H3,(H,23,27)/p+1