(1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)ethanoate chloride

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)ethanoate chloride Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)acetate chloride CAS Name: 2-(4-tert-butylphenoxy)acetic acid (1-methyl-4-piperidin-1-iumyl) ester chloride IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)acetate chloride Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (1-methylpiperidin-1-ium-4-yl) ester chloride Formula: C18H28ClNO3 MolecularWeight: 341.87282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC2CC[NH+](CC2)C.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OC2CC[NH+](CC2)C.[Cl-]

InChI

InChI=1S/C18H27NO3.ClH/c1-18(2,3)14-5-7-15(8-6-14)21-13-17(20)22-16-9-11-19(4)12-10-16;/h5-8,16H,9-13H2,1-4H3;1H