(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C13H19BrNO3+ MolecularWeight: 317.19886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2CCCO2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO3/c1-17-12-6-9(5-11(14)13(12)16)7-15-8-10-3-2-4-18-10/h5-6,10,15-16H,2-4,7-8H2,1H3/p+1/t10-/m1/s1