ethyl (3S)-1-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(2R)-3-(4-ethanoylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2R)-3-(4-acetylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28NO5+ MolecularWeight: 350.42932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(COC2=CC=C(C=C2)C(=O)C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@H](COC2=CC=C(C=C2)C(=O)C)O

InChI

InChI=1S/C19H27NO5/c1-3-24-19(23)16-5-4-10-20(11-16)12-17(22)13-25-18-8-6-15(7-9-18)14(2)21/h6-9,16-17,22H,3-5,10-13H2,1-2H3/p+1/t16-,17+/m0/s1