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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C21H23ClN3O4+ MolecularWeight: 416.87802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4/c22-21-16(2-1-7-23-21)24-19(26)13-25-8-5-14(6-9-25)20(27)15-3-4-17-18(12-15)29-11-10-28-17/h1-4,7,12,14H,5-6,8-11,13H2,(H,24,26)/p+1