Molecule ID: 24848269

IUPAC Name: tert-butyl-[(2S)-2-hydroxy-3-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]propyl]azanium

Description: The molecule is an organic cation obtained by protonation of the secondary amino function of levobunolol. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a levobunolol.

SMILES: CC(C)(C)[NH2+]C[C@H](O)COc1cccc2c1CCCC2=O

SELFIES: [C][C][Branch1][C][C][Branch1][C][C][NH2+1][C][C@H1][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][=O]

InChI: InChI=1S/C17H25NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,18-19H,4,7-8,10-11H2,1-3H3/p+1/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 63.1 Ų
- LogP: 2.4