1-[2,3-bis(chloranyl)phenyl]tridecyl-dimethyl-azanium ethanoate

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]tridecyl-dimethyl-azanium ethanoate Openeye Name: 1-(2,3-dichlorophenyl)tridecyl-dimethyl-ammonium acetate CAS Name: 1-(2,3-dichlorophenyl)tridecyl-dimethylammonium acetate IUPAC Name: 1-(2,3-dichlorophenyl)tridecyl-dimethylazanium acetate Traditional Name: 1-(2,3-dichlorophenyl)tridecyl-dimethyl-ammonium acetate Formula: C23H39Cl2NO2 MolecularWeight: 432.46726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C1=C(C(=CC=C1)Cl)Cl)[NH+](C)C.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(C1=C(C(=CC=C1)Cl)Cl)[NH+](C)C.CC(=O)[O-]

InChI

InChI=1S/C21H35Cl2N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-17-20(24(2)3)18-15-14-16-19(22)21(18)23;1-2(3)4/h14-16,20H,4-13,17H2,1-3H3;1H3,(H,3,4)