4-[7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl ethanoate

Systemtic Name: 4-[7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl ethanoate Openeye Name: [1-methyl-3-[7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidin-5-yl]propyl] acetate CAS Name: acetic acid 4-[7-[(1-oxido-4-pyridin-1-iumyl)methoxy]-5-pyrazolo[1,5-a]pyrimidinyl]butan-2-yl ester IUPAC Name: 4-[7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidin-5-yl]butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-[7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidin-5-yl]propyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=NC2=CC=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-])OC(=O)C

Isomeric SMILES

CC(CCC1=NC2=CC=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-])OC(=O)C

InChI

InChI=1S/C18H20N4O4/c1-13(26-14(2)23)3-4-16-11-18(22-17(20-16)5-8-19-22)25-12-15-6-9-21(24)10-7-15/h5-11,13H,3-4,12H2,1-2H3