ethyl 1-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COC2=CC(=CC(=C2C)C)C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC(=CC(=C2C)C)C)O

InChI

InChI=1S/C20H31NO4/c1-5-24-20(23)17-6-8-21(9-7-17)12-18(22)13-25-19-11-14(2)10-15(3)16(19)4/h10-11,17-18,22H,5-9,12-13H2,1-4H3/p+1/t18-/m1/s1