dodecyl-[3-[(2-hydroxyphenyl)carbonylamino]propyl]-dimethyl-azanium bromide hydrate

Systemtic Name: dodecyl-[3-[(2-hydroxyphenyl)carbonylamino]propyl]-dimethyl-azanium bromide hydrate Openeye Name: dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-dimethyl-ammonium bromide hydrate CAS Name: dodecyl-[3-[[(2-hydroxyphenyl)-oxomethyl]amino]propyl]-dimethylammonium bromide hydrate IUPAC Name: dodecyl-[3-[(2-hydroxybenzoyl)amino]propyl]-dimethylazanium bromide hydrate Traditional Name: lauryl-dimethyl-[3-(salicyloylamino)propyl]ammonium bromide hydrate Formula: C24H45BrN2O3 MolecularWeight: 489.5297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=CC=C1O.O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C1=CC=CC=C1O.O.[Br-]

InChI

InChI=1S/C24H42N2O2.BrH.H2O/c1-4-5-6-7-8-9-10-11-12-15-20-26(2,3)21-16-19-25-24(28)22-17-13-14-18-23(22)27;;/h13-14,17-18H,4-12,15-16,19-21H2,1-3H3,(H-,25,27,28);1H;1H2