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

Systemtic Name: (4-morpholin-4-ium-4-ylpiperidin-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-morpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: [4-(4-morpholin-4-iumyl)-1-piperidinyl]-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-morpholin-4-ium-4-ylpiperidin-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-morpholin-4-ium-4-ylpiperidino)methanone Formula: C24H31N6O2S+ MolecularWeight: 467.60694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)[NH+]5CCOCC5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)[NH+]5CCOCC5

InChI

InChI=1S/C24H30N6O2S/c1-17(2)22-19(23(31)29-9-6-18(7-10-29)28-11-13-32-14-12-28)16-26-30(22)24-25-8-5-20(27-24)21-4-3-15-33-21/h3-5,8,15-18H,6-7,9-14H2,1-2H3/p+1