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

Systemtic Name: (2R)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C24H22BrN5O2 MolecularWeight: 492.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=NC=C(C=N5)Br

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])C5=NC=C(C=N5)Br

InChI

InChI=1S/C24H22BrN5O2/c25-17-14-26-24(27-15-17)30-12-10-29(11-13-30)22(23(31)32)20-18-8-4-5-9-19(18)28-21(20)16-6-2-1-3-7-16/h1-9,14-15,22,28H,10-13H2,(H,31,32)/t22-/m1/s1