2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H28N6O2/c1-29-19-5-2-4-18(16-19)25-10-8-24(9-11-25)17-20(28)26-12-14-27(15-13-26)21-22-6-3-7-23-21/h2-7,16H,8-15,17H2,1H3/p+1