1-[1-[6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[1-[6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Openeye Name: 1-[1-[6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone CAS Name: 1-[1-[6-(4-ethyl-1-piperazin-4-iumyl)-4-pyrimidinyl]-5-methyl-4-pyrazolyl]ethanone IUPAC Name: 1-[1-[6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone Traditional Name: 1-[1-[6-(4-ethylpiperazin-4-ium-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Formula: C16H23N6O+ MolecularWeight: 315.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC(=C2)N3C(=C(C=N3)C(=O)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC(=C2)N3C(=C(C=N3)C(=O)C)C

InChI

InChI=1S/C16H22N6O/c1-4-20-5-7-21(8-6-20)15-9-16(18-11-17-15)22-12(2)14(10-19-22)13(3)23/h9-11H,4-8H2,1-3H3/p+1