ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2,6-dimethoxyphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C18H29ClN2O6 MolecularWeight: 404.88566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=C(C=CC=C2OC)OC)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COC2=C(C=CC=C2OC)OC)O.[Cl-]

InChI

InChI=1S/C18H28N2O6.ClH/c1-4-25-18(22)20-10-8-19(9-11-20)12-14(21)13-26-17-15(23-2)6-5-7-16(17)24-3;/h5-7,14,21H,4,8-13H2,1-3H3;1H