(4-methylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C18H21N6OS+ MolecularWeight: 369.46394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C18H20N6OS/c1-13-14(17(25)23-9-7-22(2)8-10-23)12-20-24(13)18-19-6-5-15(21-18)16-4-3-11-26-16/h3-6,11-12H,7-10H2,1-2H3/p+1