3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-piperidin-4-yl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-bromanyl-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]-5-piperidin-4-yl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-bromo-N-[(1-oxido-3-pyridin-1-iumyl)methyl]-5-(4-piperidinyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-bromo-5-(4-piperidyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[(1-oxidopyridin-1-ium-3-yl)methyl]amine Formula: C17H19BrN6O MolecularWeight: 403.27636

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

Isomeric SMILES

C1CNCCC1C2=NC3=C(C=NN3C(=C2)NCC4=C[N+](=CC=C4)[O-])Br

InChI

InChI=1S/C17H19BrN6O/c18-14-10-21-24-16(20-9-12-2-1-7-23(25)11-12)8-15(22-17(14)24)13-3-5-19-6-4-13/h1-2,7-8,10-11,13,19-20H,3-6,9H2