2-(azepan-1-ylmethyl)-4,6-ditert-butyl-phenol hydrochloride

Systemtic Name: 2-(azepan-1-ylmethyl)-4,6-ditert-butyl-phenol hydrochloride Openeye Name: 2-(azepan-1-ylmethyl)-4,6-ditert-butyl-phenol hydrochloride CAS Name: 2-(1-azepanylmethyl)-4,6-ditert-butylphenol hydrochloride IUPAC Name: 2-(azepan-1-ylmethyl)-4,6-ditert-butylphenol hydrochloride Traditional Name: 2-(azepan-1-ylmethyl)-4,6-ditert-butyl-phenol hydrochloride Formula: C21H36ClNO MolecularWeight: 353.96964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCCCC2.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN2CCCCCC2.Cl

InChI

InChI=1S/C21H35NO.ClH/c1-20(2,3)17-13-16(15-22-11-9-7-8-10-12-22)19(23)18(14-17)21(4,5)6;/h13-14,23H,7-12,15H2,1-6H3;1H