2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H29N6O+ MolecularWeight: 381.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O/c1-18-5-2-3-6-19(18)25-11-9-24(10-12-25)17-20(28)26-13-15-27(16-14-26)21-22-7-4-8-23-21/h2-8H,9-17H2,1H3/p+1