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

Systemtic Name: ethyl (3S)-1-[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(2R)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H36NO5+ MolecularWeight: 394.52494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@H](COC2=C(C=C(C=C2)OC)C(C)(C)C)O

InChI

InChI=1S/C22H35NO5/c1-6-27-21(25)16-8-7-11-23(13-16)14-17(24)15-28-20-10-9-18(26-5)12-19(20)22(2,3)4/h9-10,12,16-17,24H,6-8,11,13-15H2,1-5H3/p+1/t16-,17+/m0/s1