ethyl 4-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-2-oxidanyl-3-(2,3,5-trimethylphenoxy)propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-2-hydroxy-3-(2,3,5-trimethylphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC(=CC(=C2C)C)C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)C[C@H](COC2=CC(=CC(=C2C)C)C)O

InChI

InChI=1S/C19H30N2O4/c1-5-24-19(23)21-8-6-20(7-9-21)12-17(22)13-25-18-11-14(2)10-15(3)16(18)4/h10-11,17,22H,5-9,12-13H2,1-4H3/p+1/t17-/m1/s1