2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium

Systemtic Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Openeye Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium CAS Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium IUPAC Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium Traditional Name: 2-(1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Formula: C20H17FN4O2 MolecularWeight: 364.372983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C[N-]3)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C[N-]3)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C20H17FN4O2/c1-12-8-14-9-17(26-2)18(27-3)10-16(14)19(13-4-6-15(21)7-5-13)25(12)20-22-11-23-24-20/h4-11H,1-3H3