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

Systemtic Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: [5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(2-methoxyethyl)-1-piperazin-4-iumyl]-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(2-methoxyethyl)piperazin-4-ium-1-yl]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: [5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N6O2S+ MolecularWeight: 441.56966

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2S/c1-16(2)20-17(21(29)27-10-8-26(9-11-27)12-13-30-3)15-24-28(20)22-23-7-6-18(25-22)19-5-4-14-31-19/h4-7,14-16H,8-13H2,1-3H3/p+1