Molecule ID: 54728493

IUPAC Name: 2-benzhydryloxyethyl(dimethyl)azanium;2-carboxyphenolate

Description: The molecule is the salicylic acid salt of diphenhydramine. It has a role as a H1-receptor antagonist, an antiemetic, a sedative, an anti-allergic agent and a muscarinic antagonist. It is an organoammonium salt and a member of salicylates. It contains a diphenhydramine and a salicylate.

SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1.O=C(O)c1ccccc1O

SELFIES: [C][N][Branch1][C][C][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1].[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]

InChI: InChI=1S/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)

Molecular Properties:
- Polar Surface Area: 74.0 Ų
- LogP: nan