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

Systemtic Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Openeye Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine CAS Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-isoquinolin-2-iumyl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine IUPAC Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methylisoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Traditional Name: [5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-phenyl-amine Formula: C27H25N5O3 MolecularWeight: 467.5191

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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)OC)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)OC)OC)OC

InChI

InChI=1S/C27H25N5O3/c1-17-14-19-15-23(34-3)24(35-4)16-22(19)25(18-10-12-21(33-2)13-11-18)32(17)27-29-26(30-31-27)28-20-8-6-5-7-9-20/h5-16H,1-4H3,(H-,28,29,30,31)