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

Systemtic Name: N-(2-acetamidoethyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-acetamidoethyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(2-acetamidoethyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-acetamidoethyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(2-acetamidoethyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetamide Formula: C20H28N3O5+ MolecularWeight: 390.45342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O5/c1-14(24)21-6-7-22-19(25)13-23-8-4-15(5-9-23)20(26)16-2-3-17-18(12-16)28-11-10-27-17/h2-3,12,15H,4-11,13H2,1H3,(H,21,24)(H,22,25)/p+1