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

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)ethanoate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/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/p+1