2-(2,2-dimethyl-4-phenyl-thian-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride

Systemtic Name: 2-(2,2-dimethyl-4-phenyl-thian-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride Openeye Name: 2-(2,2-dimethyl-4-phenyl-tetrahydrothiopyran-4-yl)ethyl-[(4-methoxyphenyl)methyl]ammonium chloride CAS Name: 2-(2,2-dimethyl-4-phenyl-4-thianyl)ethyl-[(4-methoxyphenyl)methyl]ammonium chloride IUPAC Name: 2-(2,2-dimethyl-4-phenylthian-4-yl)ethyl-[(4-methoxyphenyl)methyl]azanium chloride Traditional Name: 2-(2,2-dimethyl-4-phenyl-tetrahydrothiopyran-4-yl)ethyl-p-anisyl-ammonium chloride Formula: C23H32ClNOS MolecularWeight: 406.02428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCS1)(CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C.[Cl-]

Isomeric SMILES

CC1(CC(CCS1)(CC[NH2+]CC2=CC=C(C=C2)OC)C3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C23H31NOS.ClH/c1-22(2)18-23(14-16-26-22,20-7-5-4-6-8-20)13-15-24-17-19-9-11-21(25-3)12-10-19;/h4-12,24H,13-18H2,1-3H3;1H