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

Systemtic Name: ethyl 1-[(2R)-3-(2-tert-butyl-4-methyl-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-3-(2-tert-butyl-4-methylphenoxy)-2-hydroxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-(2-tert-butyl-4-methyl-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H36NO4+ MolecularWeight: 378.52554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35NO4/c1-6-26-21(25)17-9-11-23(12-10-17)14-18(24)15-27-20-8-7-16(2)13-19(20)22(3,4)5/h7-8,13,17-18,24H,6,9-12,14-15H2,1-5H3/p+1/t18-/m1/s1