Molecule ID: 40428584

IUPAC Name: 6-[4-(4-bromobenzoyl)-3-fluorophenoxy]hexyl-methyl-prop-2-enylazanium

Description: The molecule is an organic cation obtained by protonation of the tertiary amino group of Ro 48-8071. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a Ro 48-8071.

SMILES: C=CC[NH+](C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1

SELFIES: [C][=C][C][NH1+1][Branch1][C][C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][F][=C][Ring1][S]

InChI: InChI=1S/C23H27BrFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1

Molecular Properties:
- Polar Surface Area: 30.7 Ų
- LogP: 6.1