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

Systemtic Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2-phenyl-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2-phenyl-1H-indol-3-yl)-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+]1CC(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CC=N5

Isomeric SMILES

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

InChI

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