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

Systemtic Name: ethyl 4-[3-(4-ethylphenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[3-(4-ethylphenoxy)-2-hydroxy-propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[3-(4-ethylphenoxy)-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:

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)OCC)O.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C(=O)OCC)O.[Cl-]

InChI

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