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

Systemtic Name: methyl 3-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H25N2O6S+ MolecularWeight: 445.5087

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O6S/c1-28-22(27)21-16(6-11-31-21)23-19(25)13-24-7-4-14(5-8-24)20(26)15-2-3-17-18(12-15)30-10-9-29-17/h2-3,6,11-12,14H,4-5,7-10,13H2,1H3,(H,23,25)/p+1