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

Systemtic Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Openeye Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium CAS Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium IUPAC Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Traditional Name: 1-(4-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)isoquinolin-2-ium Formula: C19H16ClN5O2 MolecularWeight: 381.81564

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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)Cl)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O2/c1-11-8-13-9-16(26-2)17(27-3)10-15(13)18(12-4-6-14(20)7-5-12)25(11)19-21-23-24-22-19/h4-10H,1-3H3