1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane hydrochloride

Systemtic Name: 1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane hydrochloride Openeye Name: 1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane hydrochloride CAS Name: 1-butyl-4-[2-(3,3,5,5-tetramethyl-1-cyclohexenyl)phenyl]azepane hydrochloride IUPAC Name: 1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane hydrochloride Traditional Name: 1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane hydrochloride Formula: C26H42ClN MolecularWeight: 404.07138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCCC(CC1)C2=CC=CC=C2C3=CC(CC(C3)(C)C)(C)C.Cl

Isomeric SMILES

CCCCN1CCCC(CC1)C2=CC=CC=C2C3=CC(CC(C3)(C)C)(C)C.Cl

InChI

InChI=1S/C26H41N.ClH/c1-6-7-15-27-16-10-11-21(14-17-27)23-12-8-9-13-24(23)22-18-25(2,3)20-26(4,5)19-22;/h8-9,12-13,18,21H,6-7,10-11,14-17,19-20H2,1-5H3;1H