[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-[5-methyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[5-methyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: [5-methyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H25N6O3S+ MolecularWeight: 489.5694

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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)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H24N6O3S/c1-17-19(14-27-31(17)25-26-7-6-20(28-25)23-3-2-12-35-23)24(32)30-10-8-29(9-11-30)15-18-4-5-21-22(13-18)34-16-33-21/h2-7,12-14H,8-11,15-16H2,1H3/p+1