[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C16H25BrN2O3+2 MolecularWeight: 373.2853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C[NH+]1CC[NH+](CC1)C)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H23BrN2O3/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/p+2/t13-/m1/s1