3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol hydrochloride

Systemtic Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol hydrochloride Openeye Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol hydrochloride CAS Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)-1-cycloheptenyl]phenol hydrochloride IUPAC Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol hydrochloride Traditional Name: 3-[6-(3-tert-butylphenyl)-2-(dimethylaminomethyl)cyclohepten-1-yl]phenol hydrochloride Formula: C26H36ClNO MolecularWeight: 414.02314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1)C2CCCC(=C(C2)C3=CC(=CC=C3)O)CN(C)C.Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1)C2CCCC(=C(C2)C3=CC(=CC=C3)O)CN(C)C.Cl

InChI

InChI=1S/C26H35NO.ClH/c1-26(2,3)23-13-7-10-19(15-23)20-9-6-12-22(18-27(4)5)25(17-20)21-11-8-14-24(28)16-21;/h7-8,10-11,13-16,20,28H,6,9,12,17-18H2,1-5H3;1H