4-[1-oxidanidyl-6-(pyrazolo[1,5-a]pyrimidin-7-yloxymethyl)pyridin-1-ium-3-yl]butan-2-yl ethanoate

Systemtic Name: 4-[1-oxidanidyl-6-(pyrazolo[1,5-a]pyrimidin-7-yloxymethyl)pyridin-1-ium-3-yl]butan-2-yl ethanoate Openeye Name: [1-methyl-3-[1-oxido-6-(pyrazolo[1,5-a]pyrimidin-7-yloxymethyl)pyridin-1-ium-3-yl]propyl] acetate CAS Name: acetic acid 4-[1-oxido-6-(7-pyrazolo[1,5-a]pyrimidinyloxymethyl)-3-pyridin-1-iumyl]butan-2-yl ester IUPAC Name: 4-[1-oxido-6-(pyrazolo[1,5-a]pyrimidin-7-yloxymethyl)pyridin-1-ium-3-yl]butan-2-yl acetate Traditional Name: acetic acid [1-methyl-3-[1-oxido-6-(pyrazolo[1,5-a]pyrimidin-7-yloxymethyl)pyridin-1-ium-3-yl]propyl] ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C[N+](=C(C=C1)COC2=CC=NC3=CC=NN32)[O-])OC(=O)C

Isomeric SMILES

CC(CCC1=C[N+](=C(C=C1)COC2=CC=NC3=CC=NN32)[O-])OC(=O)C

InChI

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