ethyl 1-[(2S)-3-[4-(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-3-[4-(2-methylbutan-2-yl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-3-[4-(1,1-dimethylpropyl)phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-3-(4-tert-amylphenoxy)-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:

CCC(C)(C)C1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)OCC)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)C(=O)OCC)O

InChI

InChI=1S/C22H35NO4/c1-5-22(3,4)18-7-9-20(10-8-18)27-16-19(24)15-23-13-11-17(12-14-23)21(25)26-6-2/h7-10,17,19,24H,5-6,11-16H2,1-4H3/p+1/t19-/m0/s1