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

Systemtic Name: ethyl (3S)-1-[(2R)-3-(2,3-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxypropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2R)-3-(2,3-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(COC2=CC=CC(=C2C)C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@H](COC2=CC=CC(=C2C)C)O

InChI

InChI=1S/C19H29NO4/c1-4-23-19(22)16-8-6-10-20(11-16)12-17(21)13-24-18-9-5-7-14(2)15(18)3/h5,7,9,16-17,21H,4,6,8,10-13H2,1-3H3/p+1/t16-,17+/m0/s1