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

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-(6-methylheptyl)phenolate Openeye Name: [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate CAS Name: [dichloro(phenyl)methyl]-dodecyl-dimethylammonium; 2-(6-methylheptyl)phenolate IUPAC Name: [dichloro(phenyl)methyl]-dodecyl-dimethylazanium; 2-(6-methylheptyl)phenolate Traditional Name: [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium; 2-(6-methylheptyl)phenolate 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.CC(C)CCCCCC1=CC=CC=C1[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.CC(C)CCCCCC1=CC=CC=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;1-12(2)8-4-3-5-9-13-10-6-7-11-14(13)15/h13-15,17-18H,4-12,16,19H2,1-3H3;6-7,10-12,15H,3-5,8-9H2,1-2H3/q+1;/p-1