(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(3-methoxyphenyl)methyl]-4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(4-hydroxy-1-piperidin-1-iumyl)-1-[(3-methoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-[(3-methoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(4-hydroxypiperidin-1-ium-1-yl)-1-m-anisyl-piperidin-1-ium-3-ol Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(C(C2)O)[NH+]3CCC(CC3)O

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCC(CC3)O

InChI

InChI=1S/C18H28N2O3/c1-23-16-4-2-3-14(11-16)12-19-8-7-17(18(22)13-19)20-9-5-15(21)6-10-20/h2-4,11,15,17-18,21-22H,5-10,12-13H2,1H3/p+2/t17-,18-/m1/s1