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

Systemtic Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Openeye Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O3/c1-12-9-14-10-17(27-3)18(28-4)11-16(14)19(25(12)20-21-23-24-22-20)13-5-7-15(26-2)8-6-13/h5-11H,1-4H3