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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-methyl-(oxan-4-ylmethyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-methyl-(oxan-4-ylmethyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C23H40N2O5+2 MolecularWeight: 424.5741

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCOCC1)CC2=C(C=CC(=C2)OC)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

C[NH+](CC1CCOCC1)CC2=C(C=CC(=C2)OC)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C23H38N2O5/c1-24(14-18-7-11-29-12-8-18)15-19-13-22(28-2)3-4-23(19)30-17-21(27)16-25-9-5-20(26)6-10-25/h3-4,13,18,20-21,26-27H,5-12,14-17H2,1-2H3/p+2/t21-/m1/s1