Molecule ID: 44332930

IUPAC Name: (5R)-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol

Description: The molecule is an organic cation obtained by protonation of the secondary amino function of (R)-SKF 38393. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R)-SKF 38393. It is an enantiomer of a (S)-SKF 38393(1+).

SMILES: Oc1cc2c(cc1O)[C@@H](c1ccccc1)C[NH2+]CC2

SELFIES: [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][NH2+1][C][C][Ring1][S]

InChI: InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2/p+1/t14-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.1 Ų
- LogP: 2.5