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

Systemtic Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide Traditional Name: 2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]-N-m-anisyl-N-methyl-acetamide Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN(CC1=CC(=CC=C1)OC)C(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H30N2O5/c1-26(16-18-4-3-5-21(14-18)30-2)24(28)17-27-10-8-19(9-11-27)25(29)20-6-7-22-23(15-20)32-13-12-31-22/h3-7,14-15,19H,8-13,16-17H2,1-2H3/p+1