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

Systemtic Name: ethyl 1-[(2R)-3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30NO4+ MolecularWeight: 336.4458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)C)C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=C(C=C(C=C2)C)C)O

InChI

InChI=1S/C19H29NO4/c1-4-23-19(22)16-7-9-20(10-8-16)12-17(21)13-24-18-6-5-14(2)11-15(18)3/h5-6,11,16-17,21H,4,7-10,12-13H2,1-3H3/p+1/t17-/m1/s1