ethyl 4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C21H35ClN2O5 MolecularWeight: 430.966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COC2=C(C=C(C=C2)OC)C(C)(C)C)O.[Cl-]

InChI

InChI=1S/C21H34N2O5.ClH/c1-6-27-20(25)23-11-9-22(10-12-23)14-16(24)15-28-19-8-7-17(26-5)13-18(19)21(2,3)4;/h7-8,13,16,24H,6,9-12,14-15H2,1-5H3;1H