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

Systemtic Name: [5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl-(3-propan-2-yloxypropyl)azanium Openeye Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl-(3-isopropoxypropyl)ammonium CAS Name: [2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl-(3-propan-2-yloxypropyl)azanium Traditional Name: [2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-(3-isopropoxypropyl)ammonium Formula: C22H40N2O5+2 MolecularWeight: 412.5634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCC[NH2+]CC1=C(C=CC(=C1)OC)OCC(C[NH+]2CCC(CC2)O)O

Isomeric SMILES

CC(C)OCCC[NH2+]CC1=C(C=CC(=C1)OC)OC[C@@H](C[NH+]2CCC(CC2)O)O

InChI

InChI=1S/C22H38N2O5/c1-17(2)28-12-4-9-23-14-18-13-21(27-3)5-6-22(18)29-16-20(26)15-24-10-7-19(25)8-11-24/h5-6,13,17,19-20,23,25-26H,4,7-12,14-16H2,1-3H3/p+2/t20-/m1/s1