ethyl 1-[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2R)-3-(4-chloranyl-3-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(4-chloro-3-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27ClNO4+ MolecularWeight: 356.86428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClNO4/c1-3-23-18(22)14-6-8-20(9-7-14)11-15(21)12-24-16-4-5-17(19)13(2)10-16/h4-5,10,14-15,21H,3,6-9,11-12H2,1-2H3/p+1/t15-/m1/s1