2-piperidin-1-ium-1-ylethyl 2-(2,4,6-trimethylphenoxy)ethanoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-(2,4,6-trimethylphenoxy)ethanoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-(2,4,6-trimethylphenoxy)acetate CAS Name: 2-(2,4,6-trimethylphenoxy)acetic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-(2,4,6-trimethylphenoxy)acetate Traditional Name: 2-(2,4,6-trimethylphenoxy)acetic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)OCC[NH+]2CCCCC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)OCC[NH+]2CCCCC2)C

InChI

InChI=1S/C18H27NO3/c1-14-11-15(2)18(16(3)12-14)22-13-17(20)21-10-9-19-7-5-4-6-8-19/h11-12H,4-10,13H2,1-3H3/p+1