2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethyl-[(2-hydroxyphenyl)methyl]azanium chloride

Systemtic Name: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-oxan-4-yl]ethyl-[(2-hydroxyphenyl)methyl]azanium chloride Openeye Name: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]ethyl-[(2-hydroxyphenyl)methyl]ammonium chloride CAS Name: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-4-oxanyl]ethyl-[(2-hydroxyphenyl)methyl]ammonium chloride IUPAC Name: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyloxan-4-yl]ethyl-[(2-hydroxyphenyl)methyl]azanium chloride Traditional Name: 2-[2-ethyl-4-(4-methoxyphenyl)-2-methyl-tetrahydropyran-4-yl]ethyl-salicyl-ammonium chloride Formula: C24H34ClNO3 MolecularWeight: 419.98466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=CC=C2O)C3=CC=C(C=C3)OC)C.[Cl-]

Isomeric SMILES

CCC1(CC(CCO1)(CC[NH2+]CC2=CC=CC=C2O)C3=CC=C(C=C3)OC)C.[Cl-]

InChI

InChI=1S/C24H33NO3.ClH/c1-4-23(2)18-24(14-16-28-23,20-9-11-21(27-3)12-10-20)13-15-25-17-19-7-5-6-8-22(19)26;/h5-12,25-26H,4,13-18H2,1-3H3;1H