1-[1-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone

Systemtic Name: 1-[1-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Openeye Name: 1-[1-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone CAS Name: 1-[1-[6-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-4-pyrimidinyl]-5-methyl-4-pyrazolyl]ethanone IUPAC Name: 1-[1-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidin-4-yl]-5-methylpyrazol-4-yl]ethanone Traditional Name: 1-[1-[6-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]ethanone Formula: C16H23N6O2+ MolecularWeight: 331.39282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC=N2)N3CC[NH+](CC3)CCO)C(=O)C

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC=N2)N3CC[NH+](CC3)CCO)C(=O)C

InChI

InChI=1S/C16H22N6O2/c1-12-14(13(2)24)10-19-22(12)16-9-15(17-11-18-16)21-5-3-20(4-6-21)7-8-23/h9-11,23H,3-8H2,1-2H3/p+1