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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C24H31N6OS+ MolecularWeight: 451.60754

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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)C5CCCC5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C24H30N6OS/c1-17(2)22-19(23(31)29-13-11-28(12-14-29)18-6-3-4-7-18)16-26-30(22)24-25-10-9-20(27-24)21-8-5-15-32-21/h5,8-10,15-18H,3-4,6-7,11-14H2,1-2H3/p+1