(2R)-2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetate Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2/c24-17(25)16(14-12-21-15-5-2-1-4-13(14)15)22-8-10-23(11-9-22)18-19-6-3-7-20-18/h1-7,12,16,21H,8-11H2,(H,24,25)/t16-/m1/s1