1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Formula: C25H30NO5+ MolecularWeight: 424.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H29NO5/c1-3-29-22-6-4-19(17(2)27)14-21(22)16-26-10-8-18(9-11-26)25(28)20-5-7-23-24(15-20)31-13-12-30-23/h4-7,14-15,18H,3,8-13,16H2,1-2H3/p+1