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

Systemtic Name: methyl 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]-3-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylate CAS Name: 4-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-3-hydroxy-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylate Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]-3-hydroxy-naphthalene-2-carboxylic acid methyl ester Formula: C27H28NO6+ MolecularWeight: 462.51432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

COC(=O)C1=CC2=CC=CC=C2C(=C1O)C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H27NO6/c1-32-27(31)21-14-18-4-2-3-5-20(18)22(26(21)30)16-28-10-8-17(9-11-28)25(29)19-6-7-23-24(15-19)34-13-12-33-23/h2-7,14-15,17,30H,8-13,16H2,1H3/p+1