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

Systemtic Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(1-methyl-2-phenyl-3-indolyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-methyl-2-phenylindol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(1-methyl-2-phenyl-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C25H26N5O+ MolecularWeight: 412.50684

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C25H25N5O/c1-28-21-11-6-5-10-20(21)23(24(28)19-8-3-2-4-9-19)22(31)18-29-14-16-30(17-15-29)25-26-12-7-13-27-25/h2-13H,14-18H2,1H3/p+1