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

Systemtic Name: ethyl 4-[3-(3-methyl-4-propan-2-yl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[2-hydroxy-3-(3-methyl-4-propan-2-ylphenoxy)propyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[2-hydroxy-3-(4-isopropyl-3-methyl-phenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C20H33ClN2O4 MolecularWeight: 400.94002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC(=C(C=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)14-26-18-6-7-19(15(2)3)16(4)12-18;/h6-7,12,15,17,23H,5,8-11,13-14H2,1-4H3;1H