chloranylbenzene; 1-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: chloranylbenzene; 1-(4-chloranyl-2-ethanoyl-phenoxy)ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: 1-(2-acetyl-4-chloro-phenoxy)ethyl-benzyl-dimethyl-ammonium; chlorobenzene CAS Name: 1-(2-acetyl-4-chlorophenoxy)ethyl-dimethyl-(phenylmethyl)ammonium; chlorobenzene IUPAC Name: 1-(2-acetyl-4-chlorophenoxy)ethyl-benzyl-dimethylazanium; chlorobenzene Traditional Name: 1-(2-acetyl-4-chloro-phenoxy)ethyl-benzyl-dimethyl-ammonium; chlorobenzene Formula: C25H28Cl2NO2+ MolecularWeight: 445.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC([N+](C)(C)CC1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)C.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC([N+](C)(C)CC1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)C.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C19H23ClNO2.C6H5Cl/c1-14(22)18-12-17(20)10-11-19(18)23-15(2)21(3,4)13-16-8-6-5-7-9-16;7-6-4-2-1-3-5-6/h5-12,15H,13H2,1-4H3;1-5H/q+1;