ethyl 4-[(2R)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N2O4+ MolecularWeight: 365.48702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC(=C(C=C2)C(C)C)C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC(=C(C=C2)C(C)C)C)O

InChI

InChI=1S/C20H32N2O4/c1-5-25-20(24)22-10-8-21(9-11-22)13-17(23)14-26-18-6-7-19(15(2)3)16(4)12-18/h6-7,12,15,17,23H,5,8-11,13-14H2,1-4H3/p+1/t17-/m1/s1