ethyl 4-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-(5-methyl-2-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[2-hydroxy-3-(2-isopropyl-5-methyl-phenoxy)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=C(C=CC(=C2)C)C(C)C)O.[Cl-]

Isomeric SMILES

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

InChI

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