(1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate hydrochloride

Systemtic Name: (1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate hydrochloride Openeye Name: (1-methyl-3-piperidyl) 3,5-ditert-butylbenzoate hydrochloride CAS Name: 3,5-ditert-butylbenzoic acid (1-methyl-3-piperidinyl) ester hydrochloride IUPAC Name: (1-methylpiperidin-3-yl) 3,5-ditert-butylbenzoate hydrochloride Traditional Name: 3,5-ditert-butylbenzoic acid (1-methyl-3-piperidyl) ester hydrochloride Formula: C21H34ClNO2 MolecularWeight: 367.95316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCCN(C2)C)C(C)(C)C.Cl

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCCN(C2)C)C(C)(C)C.Cl

InChI

InChI=1S/C21H33NO2.ClH/c1-20(2,3)16-11-15(12-17(13-16)21(4,5)6)19(23)24-18-9-8-10-22(7)14-18;/h11-13,18H,8-10,14H2,1-7H3;1H