1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(4-bromanylphenoxy)ethanoate chloride

Systemtic Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(4-bromanylphenoxy)ethanoate chloride Openeye Name: [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] 2-(4-bromophenoxy)acetate chloride CAS Name: 2-(4-bromophenoxy)acetic acid 1-(4-methyl-1-piperazin-1-iumyl)propan-2-yl ester chloride IUPAC Name: 1-(4-methylpiperazin-1-ium-1-yl)propan-2-yl 2-(4-bromophenoxy)acetate chloride Traditional Name: 2-(4-bromophenoxy)acetic acid [1-methyl-2-(4-methylpiperazin-1-ium-1-yl)ethyl] ester chloride Formula: C16H24BrClN2O3 MolecularWeight: 407.73036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)C)OC(=O)COC2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

CC(C[NH+]1CCN(CC1)C)OC(=O)COC2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C16H23BrN2O3.ClH/c1-13(11-19-9-7-18(2)8-10-19)22-16(20)12-21-15-5-3-14(17)4-6-15;/h3-6,13H,7-12H2,1-2H3;1H