[2,4-bis(3-hydroxyphenyl)cyclohepten-1-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [2,4-bis(3-hydroxyphenyl)cyclohepten-1-yl]methyl-dimethyl-azanium chloride Openeye Name: [2,4-bis(3-hydroxyphenyl)cyclohepten-1-yl]methyl-dimethyl-ammonium chloride CAS Name: [2,4-bis(3-hydroxyphenyl)-1-cycloheptenyl]methyl-dimethylammonium chloride IUPAC Name: [2,4-bis(3-hydroxyphenyl)cyclohepten-1-yl]methyl-dimethylazanium chloride Traditional Name: [2,4-bis(3-hydroxyphenyl)cyclohepten-1-yl]methyl-dimethyl-ammonium chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(CC(CCC1)C2=CC(=CC=C2)O)C3=CC(=CC=C3)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(CC(CCC1)C2=CC(=CC=C2)O)C3=CC(=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-23(2)15-19-9-3-6-17(16-7-4-10-20(24)12-16)14-22(19)18-8-5-11-21(25)13-18;/h4-5,7-8,10-13,17,24-25H,3,6,9,14-15H2,1-2H3;1H