dodecyl-dimethyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium bromide

Systemtic Name: dodecyl-dimethyl-[(1R,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium bromide Openeye Name: dodecyl-[(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium bromide CAS Name: dodecyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-dimethylammonium bromide IUPAC Name: dodecyl-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium bromide Traditional Name: [(1R,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-lauryl-dimethyl-ammonium bromide Formula: C23H42BrNO MolecularWeight: 428.48968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)[C@H](C)[C@@H](C1=CC=CC=C1)O.[Br-]

InChI

InChI=1S/C23H42NO.BrH/c1-5-6-7-8-9-10-11-12-13-17-20-24(3,4)21(2)23(25)22-18-15-14-16-19-22;/h14-16,18-19,21,23,25H,5-13,17,20H2,1-4H3;1H/q+1;/p-1/t21-,23+;/m1./s1