[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (3,5-dibromo-2-ethoxy-phenyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (3,5-dibromo-2-ethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (3,5-dibromo-2-ethoxyphenyl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (3,5-dibromo-2-ethoxy-benzyl)-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C13H20Br2NO2+ MolecularWeight: 382.1114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]C(C)(C)CO)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]C(C)(C)CO)Br)Br

InChI

InChI=1S/C13H19Br2NO2/c1-4-18-12-9(5-10(14)6-11(12)15)7-16-13(2,3)8-17/h5-6,16-17H,4,7-8H2,1-3H3/p+1