Molecule ID: 3731047

IUPAC Name: (2-amino-3,5-dibromophenyl)methyl-cyclohexyl-methylazanium

Description: The molecule is an ammonium ion resulting from the protonation of the tertiary amino group of bromhexine. It is the major species at pH 7.3. It is a conjugate acid of a bromhexine.

SMILES: CN(Cc1cc(Br)cc(Br)c1[NH3+])C1CCCCC1

SELFIES: [C][N][Branch1][P][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Br][=C][Ring1][Branch2][NH3+1][C][C][C][C][C][C][Ring1][=Branch1]

InChI: InChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3/p+1

Molecular Properties:
- Polar Surface Area: 30.5 Ų
- LogP: 4.3