[(2R)-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(tetrahydropyran-4-ylmethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(4-oxanylmethylammonio)methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(oxan-4-ylmethylazaniumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(tetrahydropyran-4-ylmethylammonio)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C21H38N2O4+2 MolecularWeight: 382.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC)O

InChI

InChI=1S/C21H36N2O4/c1-16(2)23(3)14-19(24)15-27-21-11-18(5-6-20(21)25-4)13-22-12-17-7-9-26-10-8-17/h5-6,11,16-17,19,22,24H,7-10,12-15H2,1-4H3/p+2/t19-/m1/s1