1-[2-(4-tert-butylphenoxy)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-tert-butylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-tert-butylphenoxy)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-tert-butylphenoxy)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-tert-butylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-tert-butylphenoxy)ethyl]piperidin-1-ium-4-carboxylate Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C18H27NO3/c1-18(2,3)15-4-6-16(7-5-15)22-13-12-19-10-8-14(9-11-19)17(20)21/h4-7,14H,8-13H2,1-3H3,(H,20,21)