3-bromanyl-5-but-3-enyl-7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-bromanyl-5-but-3-enyl-7-[(1-oxidanidylpyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Openeye Name: 3-bromo-5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine CAS Name: 3-bromo-5-but-3-enyl-7-[(1-oxido-4-pyridin-1-iumyl)methoxy]pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-bromo-5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Traditional Name: 3-bromo-5-but-3-enyl-7-[(1-oxidopyridin-1-ium-4-yl)methoxy]pyrazolo[1,5-a]pyrimidine Formula: C16H15BrN4O2 MolecularWeight: 375.2199

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=NC2=C(C=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-])Br

Isomeric SMILES

C=CCCC1=NC2=C(C=NN2C(=C1)OCC3=CC=[N+](C=C3)[O-])Br

InChI

InChI=1S/C16H15BrN4O2/c1-2-3-4-13-9-15(21-16(19-13)14(17)10-18-21)23-11-12-5-7-20(22)8-6-12/h2,5-10H,1,3-4,11H2