[bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-octylphenolate

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-octylphenolate Openeye Name: [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium; 4-octylphenolate CAS Name: [dichloro(phenyl)methyl]-dodecyl-dimethylammonium; 4-octylphenolate IUPAC Name: [dichloro(phenyl)methyl]-dodecyl-dimethylazanium; 4-octylphenolate Traditional Name: [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium; 4-octylphenolate Formula: C35H57Cl2NO MolecularWeight: 578.73918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CCCCCCCCC1=CC=C(C=C1)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CCCCCCCCC1=CC=C(C=C1)[O-]

InChI

InChI=1S/C21H36Cl2N.C14H22O/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;1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h13-15,17-18H,4-12,16,19H2,1-3H3;9-12,15H,2-8H2,1H3/q+1;/p-1