(2,2-dimethyl-4-phenyl-oxan-4-yl)methyl-[(4-hydroxyphenyl)methyl]azanium chloride

Systemtic Name: (2,2-dimethyl-4-phenyl-oxan-4-yl)methyl-[(4-hydroxyphenyl)methyl]azanium chloride Openeye Name: (2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)methyl-[(4-hydroxyphenyl)methyl]ammonium chloride CAS Name: (2,2-dimethyl-4-phenyl-4-oxanyl)methyl-[(4-hydroxyphenyl)methyl]ammonium chloride IUPAC Name: (2,2-dimethyl-4-phenyloxan-4-yl)methyl-[(4-hydroxyphenyl)methyl]azanium chloride Traditional Name: (2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)methyl-(4-hydroxybenzyl)ammonium chloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(C[NH2+]CC2=CC=C(C=C2)O)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(CC(CCO1)(C[NH2+]CC2=CC=C(C=C2)O)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c1-20(2)15-21(12-13-24-20,18-6-4-3-5-7-18)16-22-14-17-8-10-19(23)11-9-17;/h3-11,22-23H,12-16H2,1-2H3;1H