1-(2,3-dimethylindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dimethylindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dimethylindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dimethyl-1-indolyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dimethylindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dimethylindol-1-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C20H24N5O+ MolecularWeight: 350.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(N(C2=CC=CC=C12)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C20H23N5O/c1-15-16(2)25(18-7-4-3-6-17(15)18)19(26)14-23-10-12-24(13-11-23)20-21-8-5-9-22-20/h3-9H,10-14H2,1-2H3/p+1