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

Systemtic Name: ethyl 1-[(2R)-2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2R)-2-hydroxy-3-(2-isopropylphenoxy)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-4-24-20(23)16-9-11-21(12-10-16)13-17(22)14-25-19-8-6-5-7-18(19)15(2)3/h5-8,15-17,22H,4,9-14H2,1-3H3/p+1/t17-/m1/s1