3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)cyclohepten-1-yl]phenol hydrochloride

Systemtic Name: 3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)cyclohepten-1-yl]phenol hydrochloride Openeye Name: 3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)cyclohepten-1-yl]phenol hydrochloride CAS Name: 3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)-1-cycloheptenyl]phenol hydrochloride IUPAC Name: 3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)cyclohepten-1-yl]phenol hydrochloride Traditional Name: 3-[2-(dimethylaminomethyl)-6-(4-hydroxyphenyl)cyclohepten-1-yl]phenol hydrochloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(CC(CCC1)C2=CC=C(C=C2)O)C3=CC(=CC=C3)O.Cl

Isomeric SMILES

CN(C)CC1=C(CC(CCC1)C2=CC=C(C=C2)O)C3=CC(=CC=C3)O.Cl

InChI

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