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

Systemtic Name: ethyl 1-[(2S)-2-oxidanyl-3-phenoxy-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2S)-2-hydroxy-3-phenoxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-phenoxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-2-hydroxy-3-phenoxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-phenoxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO4/c1-2-21-17(20)14-8-10-18(11-9-14)12-15(19)13-22-16-6-4-3-5-7-16/h3-7,14-15,19H,2,8-13H2,1H3/p+1/t15-/m0/s1