[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-[4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-[4-(4-oxidanylpiperidin-1-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(4-hydroxypiperidin-1-ium-1-yl)-1-piperidyl]methanone CAS Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-[4-(4-hydroxy-1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-[4-(4-hydroxypiperidin-1-ium-1-yl)piperidin-1-yl]methanone Traditional Name: [5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-[4-(4-hydroxypiperidin-1-ium-1-yl)piperidino]methanone Formula: C26H33N6O2S+ MolecularWeight: 493.64422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCC(CC5)O)C6CC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCC(CC5)O)C6CC6

InChI

InChI=1S/C26H32N6O2S/c1-17-15-27-26(29-23(17)22-3-2-14-35-22)32-24(18-4-5-18)21(16-28-32)25(34)31-10-6-19(7-11-31)30-12-8-20(33)9-13-30/h2-3,14-16,18-20,33H,4-13H2,1H3/p+1