[bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-bromanyl-2,6-dimethyl-phenolate

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-bromanyl-2,6-dimethyl-phenolate Openeye Name: 4-bromo-2,6-dimethyl-phenolate; [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium CAS Name: 4-bromo-2,6-dimethylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylammonium IUPAC Name: 4-bromo-2,6-dimethylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylazanium Traditional Name: 4-bromo-2,6-dimethyl-phenolate; [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium Formula: C29H44BrCl2NO MolecularWeight: 573.47576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC1=CC(=CC(=C1[O-])C)Br

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC1=CC(=CC(=C1[O-])C)Br

InChI

InChI=1S/C21H36Cl2N.C8H9BrO/c1-4-5-6-7-8-9-10-11-12-16-19-24(2,3)21(22,23)20-17-14-13-15-18-20;1-5-3-7(9)4-6(2)8(5)10/h13-15,17-18H,4-12,16,19H2,1-3H3;3-4,10H,1-2H3/q+1;/p-1