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

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2R)-1-(1H-indol-3-yl)-2-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C24H24N5O+ MolecularWeight: 398.48026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)C5=NC=CC=N5

InChI

InChI=1S/C24H23N5O/c30-23(20-17-27-21-10-5-4-9-19(20)21)22(18-7-2-1-3-8-18)28-13-15-29(16-14-28)24-25-11-6-12-26-24/h1-12,17,22,27H,13-16H2/p+1/t22-/m1/s1