(3R,4R)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-(4-hydroxy-1-piperidin-1-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-(2-hydroxy-6-methoxy-benzyl)-4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Formula: C18H30N2O4+2 MolecularWeight: 338.4418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C18H28N2O4/c1-24-18-4-2-3-16(22)14(18)11-19-8-7-15(17(23)12-19)20-9-5-13(21)6-10-20/h2-4,13,15,17,21-23H,5-12H2,1H3/p+2/t15-,17-/m1/s1