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

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-(methoxymethyl)-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-(methoxymethyl)-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C23H29N6O2S+ MolecularWeight: 453.58036

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)C5CCCC5

Isomeric SMILES

COCC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CC[NH+](CC4)C5CCCC5

InChI

InChI=1S/C23H28N6O2S/c1-31-16-20-18(22(30)28-12-10-27(11-13-28)17-5-2-3-6-17)15-25-29(20)23-24-9-8-19(26-23)21-7-4-14-32-21/h4,7-9,14-15,17H,2-3,5-6,10-13,16H2,1H3/p+1