ethyl (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2,3-dimethylphenoxy)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CCOC2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CCOC2=CC=CC(=C2C)C

InChI

InChI=1S/C18H27NO3/c1-4-21-18(20)16-8-6-10-19(13-16)11-12-22-17-9-5-7-14(2)15(17)3/h5,7,9,16H,4,6,8,10-13H2,1-3H3/p+1/t16-/m0/s1