(2-chlorophenyl)methyl-dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium chloride

Systemtic Name: (2-chlorophenyl)methyl-dimethyl-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]azanium chloride Openeye Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-[(2-chlorophenyl)methyl]-dimethyl-ammonium chloride CAS Name: (2-chlorophenyl)methyl-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylammonium chloride IUPAC Name: (2-chlorophenyl)methyl-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-dimethylazanium chloride Traditional Name: [3-(2-allylphenoxy)-2-hydroxy-propyl]-(2-chlorobenzyl)-dimethyl-ammonium chloride Formula: C21H27Cl2NO2 MolecularWeight: 396.35058

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC1=CC=CC=C1Cl)CC(COC2=CC=CC=C2CC=C)O.[Cl-]

Isomeric SMILES

C[N+](C)(CC1=CC=CC=C1Cl)CC(COC2=CC=CC=C2CC=C)O.[Cl-]

InChI

InChI=1S/C21H27ClNO2.ClH/c1-4-9-17-10-6-8-13-21(17)25-16-19(24)15-23(2,3)14-18-11-5-7-12-20(18)22;/h4-8,10-13,19,24H,1,9,14-16H2,2-3H3;1H/q+1;/p-1