(3-bromanyl-4,5-dimethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (3-bromanyl-4,5-dimethoxy-phenyl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (3-bromo-4,5-dimethoxy-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (3-bromo-4,5-dimethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (3-bromo-4,5-dimethoxy-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C13H21BrNO3+ MolecularWeight: 319.21474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO3/c1-13(2,8-16)15-7-9-5-10(14)12(18-4)11(6-9)17-3/h5-6,15-16H,7-8H2,1-4H3/p+1