[4-(phenylmethyl)piperazin-4-ium-1-yl]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C26H29N6OS+ MolecularWeight: 473.61306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H28N6OS/c1-19(2)24-21(17-28-32(24)26-27-11-10-22(29-26)23-9-6-16-34-23)25(33)31-14-12-30(13-15-31)18-20-7-4-3-5-8-20/h3-11,16-17,19H,12-15,18H2,1-2H3/p+1