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

Systemtic Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4.ClH/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;1H