methyl 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H26N2O6/c1-30-24(29)18-4-2-3-5-19(18)25-22(27)15-26-10-8-16(9-11-26)23(28)17-6-7-20-21(14-17)32-13-12-31-20/h2-7,14,16H,8-13,15H2,1H3,(H,25,27)/p+1