2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C22H24N3O6+ MolecularWeight: 426.44246

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c26-21(23-17-2-1-3-18(13-17)25(28)29)14-24-8-6-15(7-9-24)22(27)16-4-5-19-20(12-16)31-11-10-30-19/h1-5,12-13,15H,6-11,14H2,(H,23,26)/p+1