4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxidanidyl-quinolin-1-ium

Systemtic Name: 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxidanidyl-quinolin-1-ium Openeye Name: 4-[2-(6-methyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxido-quinolin-1-ium CAS Name: 4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxidoquinolin-1-ium IUPAC Name: 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxidoquinolin-1-ium Traditional Name: 4-[2-(6-methyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-oxido-quinolin-1-ium Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=CC=[N+](C5=CC=CC=C45)[O-]

Isomeric SMILES

CC1=CC=CC(=N1)C2=NN3CCCC3=C2C4=CC=[N+](C5=CC=CC=C45)[O-]

InChI

InChI=1S/C21H18N4O/c1-14-6-4-8-17(22-14)21-20(19-10-5-12-24(19)23-21)16-11-13-25(26)18-9-3-2-7-15(16)18/h2-4,6-9,11,13H,5,10,12H2,1H3