Molecule ID: 44181993

IUPAC Name: 2-hydroxyethylazanium;4-methyl-1-oxido-6-(2,4,4-trimethylpentyl)pyridin-2-one

Description: The molecule is an organoammonium salt that is the ethanolamine salt of piroctone. It has a role as an antiseborrheic and a drug allergen. It is an organoammonium salt and a hydroxypyridone antifungal drug. It contains an ethanolaminium(1+) and a piroctone.

SMILES: Cc1cc(CC(C)CC(C)(C)C)n([O-])c(=[OH+])c1.NCCO

SELFIES: [C][C][C][=C][Branch1][#C][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][O-1][C][=Branch1][C][=OH1+1][C][=Ring1][S].[N][C][C][O]

InChI: InChI=1S/C14H22NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11H,7,9H2,1-5H3;4H,1-3H2/q-1;/p+1

Molecular Properties:
- Polar Surface Area: 91.2 Ų
- LogP: nan