[(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(2S)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(1S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C16H24BrN2O3+ MolecularWeight: 372.27736

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)C)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@@H](CN1CC[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+1/t13-/m0/s1