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

Systemtic Name: ethyl 1-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-3-benzyloxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-3-benzoxy-2-hydroxy-propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(COCC2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COCC2=CC=CC=C2)O

InChI

InChI=1S/C18H27NO4/c1-2-23-18(21)16-8-10-19(11-9-16)12-17(20)14-22-13-15-6-4-3-5-7-15/h3-7,16-17,20H,2,8-14H2,1H3/p+1/t17-/m1/s1