[(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-bromanylbenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [(2R)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)C)OC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C15H21BrN2O2/c1-12(11-18-9-7-17(2)8-10-18)20-15(19)13-5-3-4-6-14(13)16/h3-6,12H,7-11H2,1-2H3/p+1/t12-/m1/s1