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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)OC)OCC(C[NH+]2CCC(CC2)O)O)C3CCOCC3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)OC)OC[C@@H](C[NH+]2CCC(CC2)O)O)C3CCOCC3

InChI

InChI=1S/C22H36N2O5/c1-23(18-7-11-28-12-8-18)14-17-13-21(27-2)3-4-22(17)29-16-20(26)15-24-9-5-19(25)6-10-24/h3-4,13,18-20,25-26H,5-12,14-16H2,1-2H3/p+2/t20-/m1/s1