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

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-chloranyl-2-cyclohexyl-phenolate Openeye Name: 4-chloro-2-cyclohexyl-phenolate; [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium CAS Name: 4-chloro-2-cyclohexylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylammonium IUPAC Name: 4-chloro-2-cyclohexylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylazanium Traditional Name: 4-chloro-2-cyclohexyl-phenolate; [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium Formula: C33H50Cl3NO MolecularWeight: 583.1152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.C1CCC(CC1)C2=C(C=CC(=C2)Cl)[O-]

InChI

InChI=1S/C21H36Cl2N.C12H15ClO/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;13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h13-15,17-18H,4-12,16,19H2,1-3H3;6-9,14H,1-5H2/q+1;/p-1