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

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]acetate Formula: C18H17Br2N5O2 MolecularWeight: 495.16788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17Br2N5O2/c19-11-1-2-15-13(7-11)14(10-21-15)16(17(26)27)24-3-5-25(6-4-24)18-22-8-12(20)9-23-18/h1-2,7-10,16,21H,3-6H2,(H,26,27)/t16-/m1/s1