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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2R)-3-methylbutan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1R)-1,2-dimethylpropyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-3-methylbutan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2R)-3-methylbutan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1R)-1,2-dimethylpropyl]ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@H](C(C)C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H20BrNO2/c1-8(2)9(3)15-7-10-5-11(14)13(16)12(6-10)17-4/h5-6,8-9,15-16H,7H2,1-4H3/p+1/t9-/m1/s1