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

Systemtic Name: 2-(2,2-dimethyl-4-phenyl-oxan-4-yl)ethyl-[(4-hydroxyphenyl)methyl]azanium chloride Openeye Name: 2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl-[(4-hydroxyphenyl)methyl]ammonium chloride CAS Name: 2-(2,2-dimethyl-4-phenyl-4-oxanyl)ethyl-[(4-hydroxyphenyl)methyl]ammonium chloride IUPAC Name: 2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl-[(4-hydroxyphenyl)methyl]azanium chloride Traditional Name: 2-(2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl)ethyl-(4-hydroxybenzyl)ammonium chloride Formula: C22H30ClNO2 MolecularWeight: 375.9321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO2.ClH/c1-21(2)17-22(13-15-25-21,19-6-4-3-5-7-19)12-14-23-16-18-8-10-20(24)11-9-18;/h3-11,23-24H,12-17H2,1-2H3;1H