ethyl 4-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2R)-3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H33N2O4+ MolecularWeight: 365.48702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4/c1-5-25-19(24)22-12-10-21(11-13-22)14-16(23)15-26-18-9-7-6-8-17(18)20(2,3)4/h6-9,16,23H,5,10-15H2,1-4H3/p+1/t16-/m1/s1