(3-methoxy-4-oxidanyl-phenyl)methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]azanium

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]azanium Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propyl]ammonium CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-[[(2R)-2-oxolanyl]methoxy]propyl]ammonium IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]azanium Traditional Name: 3-[[(2R)-tetrahydrofuran-2-yl]methoxy]propyl-vanillyl-ammonium Formula: C16H26NO4+ MolecularWeight: 296.38194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCOCC2CCCO2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCOC[C@H]2CCCO2)O

InChI

InChI=1S/C16H25NO4/c1-19-16-10-13(5-6-15(16)18)11-17-7-3-8-20-12-14-4-2-9-21-14/h5-6,10,14,17-18H,2-4,7-9,11-12H2,1H3/p+1/t14-/m1/s1