5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide

Systemtic Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide Openeye Name: 5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide CAS Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide Traditional Name: 5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]pyrazole-4-carboxamide Formula: C26H35N6O2S+ MolecularWeight: 495.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC4(CCCC4)[NH+]5CCCCC5)COC

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=CS2)N3C(=C(C=N3)C(=O)NCC4(CCCC4)[NH+]5CCCCC5)COC

InChI

InChI=1S/C26H34N6O2S/c1-19-15-27-25(30-23(19)22-9-8-14-35-22)32-21(17-34-2)20(16-29-32)24(33)28-18-26(10-4-5-11-26)31-12-6-3-7-13-31/h8-9,14-16H,3-7,10-13,17-18H2,1-2H3,(H,28,33)/p+1