[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(oxan-4-ylmethyl)azanium

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-(tetrahydropyran-4-ylmethyl)ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CC3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CC3CCOCC3

InChI

InChI=1S/C22H36N2O5/c1-27-21-2-3-22(18(12-21)14-23-13-17-6-10-28-11-7-17)29-16-20(26)15-24-8-4-19(25)5-9-24/h2-3,12,17,19-20,23,25-26H,4-11,13-16H2,1H3/p+2/t20-/m1/s1