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

Systemtic Name: ethyl 4-[2-oxidanyl-3-(2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride Openeye Name: ethyl 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride CAS Name: hydron; 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-piperazinecarboxylic acid ethyl ester; chloride IUPAC Name: ethyl 4-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazine-1-carboxylate; hydron; chloride Traditional Name: hydron; 4-[2-hydroxy-3-(2-isopropylphenoxy)propyl]piperazine-1-carboxylic acid ethyl ester; chloride Formula: C19H31ClN2O4 MolecularWeight: 386.91344

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)C)O.[Cl-]

Isomeric SMILES

[H+].CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2C(C)C)O.[Cl-]

InChI

InChI=1S/C19H30N2O4.ClH/c1-4-24-19(23)21-11-9-20(10-12-21)13-16(22)14-25-18-8-6-5-7-17(18)15(2)3;/h5-8,15-16,22H,4,9-14H2,1-3H3;1H