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

Systemtic Name: ethyl 1-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-(2-methylphenoxy)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(COC2=CC=CC=C2C)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C[C@H](COC2=CC=CC=C2C)O

InChI

InChI=1S/C18H27NO4/c1-3-22-18(21)15-8-10-19(11-9-15)12-16(20)13-23-17-7-5-4-6-14(17)2/h4-7,15-16,20H,3,8-13H2,1-2H3/p+1/t16-/m1/s1