[(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [(3S)-1-methylpiperidin-1-ium-3-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)OC2CCC[NH+](C2)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)O[C@H]2CCC[NH+](C2)C

InChI

InChI=1S/C18H27NO3/c1-18(2,3)14-7-9-15(10-8-14)21-13-17(20)22-16-6-5-11-19(4)12-16/h7-10,16H,5-6,11-13H2,1-4H3/p+1/t16-/m0/s1