4-chloranyl-2-(phenylmethyl)phenolate; ethyl-hexadecyl-dimethyl-azanium

Systemtic Name: 4-chloranyl-2-(phenylmethyl)phenolate; ethyl-hexadecyl-dimethyl-azanium Openeye Name: 2-benzyl-4-chloro-phenolate; ethyl-hexadecyl-dimethyl-ammonium CAS Name: 4-chloro-2-(phenylmethyl)phenolate; ethyl-hexadecyl-dimethylammonium IUPAC Name: 2-benzyl-4-chlorophenolate; ethyl-hexadecyl-dimethylazanium Traditional Name: 2-benzyl-4-chloro-phenolate; cetyl-ethyl-dimethyl-ammonium Formula: C33H54ClNO MolecularWeight: 516.24096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44N.C13H11ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h5-20H2,1-4H3;1-7,9,15H,8H2/q+1;/p-1