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

Systemtic Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Openeye Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine CAS Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine IUPAC Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N-phenyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Traditional Name: [5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-phenyl-amine Formula: C28H27N5O4 MolecularWeight: 497.54508

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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)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)OC

InChI

InChI=1S/C28H27N5O4/c1-17-13-19-15-24(36-4)25(37-5)16-21(19)26(18-11-12-22(34-2)23(14-18)35-3)33(17)28-30-27(31-32-28)29-20-9-7-6-8-10-20/h6-16H,1-5H3,(H-,29,30,31,32)