ethyl 4-[3-(2-butan-2-ylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate; hydron; chloride

Systemtic Name: ethyl 4-[3-(2-butan-2-ylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate; hydron; chloride Openeye Name: ethyl 4-[2-hydroxy-3-(2-sec-butylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride CAS Name: 4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester; hydron; chloride IUPAC Name: ethyl 4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate; hydron; chloride Traditional Name: hydron; 4-[2-hydroxy-3-(2-sec-butylphenoxy)propyl]piperazine-1-carboxylic acid ethyl ester; chloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)OCC)O.[Cl-]

Isomeric SMILES

[H+].CCC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)OCC)O.[Cl-]

InChI

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