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

Systemtic Name: ethyl 4-[3-(4-chloranyl-2-methyl-phenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(4-chloro-2-methyl-phenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C17H26Cl2N2O4 MolecularWeight: 393.30534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O4.ClH/c1-3-23-17(22)20-8-6-19(7-9-20)11-15(21)12-24-16-5-4-14(18)10-13(16)2;/h4-5,10,15,21H,3,6-9,11-12H2,1-2H3;1H