[3-[(3,4-dichlorophenyl)methyl]-2-methyl-nonadecan-2-yl]azanium chloride

Systemtic Name: [3-[(3,4-dichlorophenyl)methyl]-2-methyl-nonadecan-2-yl]azanium chloride Openeye Name: [2-[(3,4-dichlorophenyl)methyl]-1,1-dimethyl-octadecyl]ammonium chloride CAS Name: [3-[(3,4-dichlorophenyl)methyl]-2-methylnonadecan-2-yl]ammonium chloride IUPAC Name: [3-[(3,4-dichlorophenyl)methyl]-2-methylnonadecan-2-yl]azanium chloride Traditional Name: [2-(3,4-dichlorobenzyl)-1,1-dimethyl-octadecyl]ammonium chloride Formula: C27H48Cl3N MolecularWeight: 493.03572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1)Cl)Cl)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC1=CC(=C(C=C1)Cl)Cl)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C27H47Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27(2,3)30)21-23-19-20-25(28)26(29)22-23;/h19-20,22,24H,4-18,21,30H2,1-3H3;1H