[(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 2,4-bis(chloranyl)benzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic 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] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C15H21Cl2N2O2+ MolecularWeight: 332.24544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20Cl2N2O2/c1-11(10-19-7-5-18(2)6-8-19)21-15(20)13-4-3-12(16)9-14(13)17/h3-4,9,11H,5-8,10H2,1-2H3/p+1/t11-/m1/s1