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

Systemtic Name: 4-[3-(6-methyl-1-oxidanidyl-pyridin-1-ium-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]-1-oxidanidyl-quinolin-1-ium Openeye Name: 4-[3-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]-1-oxido-quinolin-1-ium CAS Name: 4-[3-(6-methyl-1-oxido-2-pyridin-1-iumyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]-1-oxidoquinolin-1-ium IUPAC Name: 4-[3-(6-methyl-1-oxidopyridin-1-ium-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]-1-oxidoquinolin-1-ium Traditional Name: 4-[3-(6-methyl-1-oxido-pyridin-1-ium-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-4-yl]-1-oxido-quinolin-1-ium Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=[N+]1[O-])C2=C3C(CCN3N=C2)C4=CC=[N+](C5=CC=CC=C45)[O-]

Isomeric SMILES

CC1=CC=CC(=[N+]1[O-])C2=C3C(CCN3N=C2)C4=CC=[N+](C5=CC=CC=C45)[O-]

InChI

InChI=1S/C21H18N4O2/c1-14-5-4-8-20(25(14)27)18-13-22-23-11-9-17(21(18)23)15-10-12-24(26)19-7-3-2-6-16(15)19/h2-8,10,12-13,17H,9,11H2,1H3