(4-azanyl-2-oxidanyl-phenyl)methyl-dodecyl-dimethyl-azanium iodide

Systemtic Name: (4-azanyl-2-oxidanyl-phenyl)methyl-dodecyl-dimethyl-azanium iodide Openeye Name: (4-amino-2-hydroxy-phenyl)methyl-dodecyl-dimethyl-ammonium iodide CAS Name: (4-amino-2-hydroxyphenyl)methyl-dodecyl-dimethylammonium iodide IUPAC Name: (4-amino-2-hydroxyphenyl)methyl-dodecyl-dimethylazanium iodide Traditional Name: (4-amino-2-hydroxy-benzyl)-lauryl-dimethyl-ammonium iodide Formula: C21H39IN2O MolecularWeight: 462.45163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=C(C=C(C=C1)N)O.[I-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=C(C=C(C=C1)N)O.[I-]

InChI

InChI=1S/C21H38N2O.HI/c1-4-5-6-7-8-9-10-11-12-13-16-23(2,3)18-19-14-15-20(22)17-21(19)24;/h14-15,17H,4-13,16,18,22H2,1-3H3;1H