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

Systemtic Name: (2S)-2-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(5-bromo-2-pyrimidinyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(5-bromopyrimidin-2-yl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C19H20BrN5O2 MolecularWeight: 430.2984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C19H20BrN5O2/c1-12-16(14-4-2-3-5-15(14)23-12)17(18(26)27)24-6-8-25(9-7-24)19-21-10-13(20)11-22-19/h2-5,10-11,17,23H,6-9H2,1H3,(H,26,27)/t17-/m0/s1