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

Systemtic Name: [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C25H33N6O2S+ MolecularWeight: 481.63352

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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+]5CCCCC5)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCCCC5)COC

InChI

InChI=1S/C25H32N6O2S/c1-18-15-26-25(28-23(18)22-7-6-14-34-22)31-21(17-33-2)20(16-27-31)24(32)30-12-8-19(9-13-30)29-10-4-3-5-11-29/h6-7,14-16,19H,3-5,8-13,17H2,1-2H3/p+1