1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]piperazino]-2-phenoxy-ethanone Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)COC4=CC=CC=C4

InChI

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