ethyl 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2S)-3-(2,4-ditert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C24H41N2O4+ MolecularWeight: 421.59334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N2O4/c1-8-29-22(28)26-13-11-25(12-14-26)16-19(27)17-30-21-10-9-18(23(2,3)4)15-20(21)24(5,6)7/h9-10,15,19,27H,8,11-14,16-17H2,1-7H3/p+1/t19-/m0/s1