tert-butyl-[3-(2-chloranyl-4-cyclohexyl-phenoxy)-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[3-(2-chloranyl-4-cyclohexyl-phenoxy)-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[3-(2-chloro-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]ammonium chloride CAS Name: tert-butyl-[3-(2-chloro-4-cyclohexylphenoxy)-2-hydroxypropyl]ammonium chloride IUPAC Name: tert-butyl-[3-(2-chloro-4-cyclohexylphenoxy)-2-hydroxypropyl]azanium chloride Traditional Name: tert-butyl-[3-(2-chloro-4-cyclohexyl-phenoxy)-2-hydroxy-propyl]ammonium chloride Formula: C19H31Cl2NO2 MolecularWeight: 376.36094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(COC1=C(C=C(C=C1)C2CCCCC2)Cl)O.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC(COC1=C(C=C(C=C1)C2CCCCC2)Cl)O.[Cl-]

InChI

InChI=1S/C19H30ClNO2.ClH/c1-19(2,3)21-12-16(22)13-23-18-10-9-15(11-17(18)20)14-7-5-4-6-8-14;/h9-11,14,16,21-22H,4-8,12-13H2,1-3H3;1H