[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3-bromanylbenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3-bromanylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic 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] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C15H23BrN2O2+2 MolecularWeight: 343.25932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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