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

Systemtic Name: (2R)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C18H18BrN5O2 MolecularWeight: 416.27182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C4=NC=C(C=N4)Br

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C4=NC=C(C=N4)Br

InChI

InChI=1S/C18H18BrN5O2/c19-12-9-21-18(22-10-12)24-7-5-23(6-8-24)16(17(25)26)14-11-20-15-4-2-1-3-13(14)15/h1-4,9-11,16,20H,5-8H2,(H,25,26)/t16-/m1/s1