[3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3,5-dibromo-4-ethoxy-phenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3,5-dibromo-4-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3,5-dibromo-4-ethoxyphenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3,5-dibromo-4-ethoxy-benzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H20Br2NO2+ MolecularWeight: 382.1114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC(=C(C(=C1)Br)OCC)Br

InChI

InChI=1S/C13H19Br2NO2/c1-3-10(8-17)16-7-9-5-11(14)13(18-4-2)12(15)6-9/h5-6,10,16-17H,3-4,7-8H2,1-2H3/p+1/t10-/m1/s1