(1-methylpiperidin-1-ium-3-yl) 3,5-ditert-butylbenzoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-3-yl) 3,5-ditert-butylbenzoate chloride Openeye Name: (1-methylpiperidin-1-ium-3-yl) 3,5-ditert-butylbenzoate chloride CAS Name: 3,5-ditert-butylbenzoic acid (1-methyl-3-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-3-yl) 3,5-ditert-butylbenzoate chloride Traditional Name: 3,5-ditert-butylbenzoic acid (1-methylpiperidin-1-ium-3-yl) ester chloride Formula: C21H34ClNO2 MolecularWeight: 367.95316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCC[NH+](C2)C)C(C)(C)C.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C(=O)OC2CCC[NH+](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