methyl 4-[[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(3R,4R)-3-oxidanyl-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(3R,4R)-3-hydroxy-4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C19H30N2O4+2 MolecularWeight: 350.4525

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C19H28N2O4/c1-25-19(24)15-4-2-14(3-5-15)12-20-9-8-17(18(23)13-20)21-10-6-16(22)7-11-21/h2-5,16-18,22-23H,6-13H2,1H3/p+2/t17-,18-/m1/s1