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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-propyl-acetamide Formula: C19H27N2O4+ MolecularWeight: 347.42868

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC(=O)C[NH+]1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H26N2O4/c1-2-7-20-18(22)13-21-8-5-14(6-9-21)19(23)15-3-4-16-17(12-15)25-11-10-24-16/h3-4,12,14H,2,5-11,13H2,1H3,(H,20,22)/p+1