5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine

Systemtic Name: 5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Openeye Name: 5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine CAS Name: 5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)-2-isoquinolin-2-iumyl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine IUPAC Name: 5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Traditional Name: [5-[6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-phenyl-amine Formula: C26H22N6O4 MolecularWeight: 482.49068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)NC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)NC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C26H22N6O4/c1-16-13-18-14-22(35-2)23(36-3)15-21(18)24(17-9-11-20(12-10-17)32(33)34)31(16)26-28-25(29-30-26)27-19-7-5-4-6-8-19/h4-15H,1-3H3,(H-,27,28,29,30)