[3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium

Systemtic Name: [3,5-bis(bromanyl)-4-ethoxy-phenyl]methyl-[(2S)-butan-2-yl]azanium Openeye Name: (3,5-dibromo-4-ethoxy-phenyl)methyl-[(1S)-1-methylpropyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(3,5-dibromo-4-ethoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(3,5-dibromo-4-ethoxyphenyl)methyl]azanium Traditional Name: (3,5-dibromo-4-ethoxy-benzyl)-[(1S)-1-methylpropyl]ammonium Formula: C13H20Br2NO+ MolecularWeight: 366.112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19Br2NO/c1-4-9(3)16-8-10-6-11(14)13(17-5-2)12(15)7-10/h6-7,9,16H,4-5,8H2,1-3H3/p+1/t9-/m0/s1