[bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-cyclohexylphenolate

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 2-cyclohexylphenolate Openeye Name: 2-cyclohexylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium CAS Name: 2-cyclohexylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylammonium IUPAC Name: 2-cyclohexylphenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylazanium Traditional Name: 2-cyclohexylphenolate; [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium Formula: C33H51Cl2NO MolecularWeight: 548.67014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36Cl2N.C12H16O/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;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h13-15,17-18H,4-12,16,19H2,1-3H3;4-5,8-10,13H,1-3,6-7H2/q+1;/p-1