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

Systemtic Name: [bis(chloranyl)-phenyl-methyl]-dodecyl-dimethyl-azanium; 4-chloranyl-2-(phenylmethyl)phenolate Openeye Name: 2-benzyl-4-chloro-phenolate; [dichloro(phenyl)methyl]-dodecyl-dimethyl-ammonium CAS Name: 4-chloro-2-(phenylmethyl)phenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylammonium IUPAC Name: 2-benzyl-4-chlorophenolate; [dichloro(phenyl)methyl]-dodecyl-dimethylazanium Traditional Name: 2-benzyl-4-chloro-phenolate; [dichloro(phenyl)methyl]-lauryl-dimethyl-ammonium Formula: C34H46Cl3NO MolecularWeight: 591.09414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)C(C1=CC=CC=C1)(Cl)Cl.C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)[O-]

InChI

InChI=1S/C21H36Cl2N.C13H11ClO/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;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h13-15,17-18H,4-12,16,19H2,1-3H3;1-7,9,15H,8H2/q+1;/p-1