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

Systemtic Name: ethyl 4-[3-(2,4-dimethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(2,4-dimethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C18H29ClN2O4 MolecularWeight: 372.88686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4.ClH/c1-4-23-18(22)20-9-7-19(8-10-20)12-16(21)13-24-17-6-5-14(2)11-15(17)3;/h5-6,11,16,21H,4,7-10,12-13H2,1-3H3;1H