3-ethyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 3-ethyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 3-ethyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxy-phenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 3-ethyl-1-[(1-methyl-1-piperidin-1-iumyl)methyl]-5-(5-methylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 3-ethyl-1-[(1-methylpiperidin-1-ium-1-yl)methyl]-5-(5-methylsulfonyl-2-propoxyphenyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 3-ethyl-5-(5-mesyl-2-propoxy-phenyl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C24H34N5O4S+ MolecularWeight: 488.62286

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCCC4)C)CC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)C)C2=NC(=O)C3=C(N2)C(=NN3C[N+]4(CCCCC4)C)CC

InChI

InChI=1S/C24H33N5O4S/c1-5-14-33-20-11-10-17(34(4,31)32)15-18(20)23-25-21-19(6-2)27-28(22(21)24(30)26-23)16-29(3)12-8-7-9-13-29/h10-11,15H,5-9,12-14,16H2,1-4H3/p+1