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

Systemtic Name: ethyl 4-[3-(3-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[2-hydroxy-3-(3-methoxyphenoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C17H27ClN2O5 MolecularWeight: 374.85968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5.ClH/c1-3-23-17(21)19-9-7-18(8-10-19)12-14(20)13-24-16-6-4-5-15(11-16)22-2;/h4-6,11,14,20H,3,7-10,12-13H2,1-2H3;1H