(2R)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazin-1-iumyl]-2-(5-chloro-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Formula: C18H17BrClN5O2 MolecularWeight: 450.71688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C4=NC=C(C=N4)Br

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C4=NC=C(C=N4)Br

InChI

InChI=1S/C18H17BrClN5O2/c19-11-8-22-18(23-9-11)25-5-3-24(4-6-25)16(17(26)27)14-10-21-15-2-1-12(20)7-13(14)15/h1-2,7-10,16,21H,3-6H2,(H,26,27)/t16-/m1/s1