1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-2-ium

Systemtic Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-1,2,3,4-tetrazol-5-yl)isoquinolin-2-ium Openeye Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)isoquinolin-2-ium CAS Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)isoquinolin-2-ium IUPAC Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)isoquinolin-2-ium Traditional Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(2H-tetrazol-5-yl)isoquinolin-2-ium Formula: C19H17ClN5O2+ MolecularWeight: 382.82358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNN=N3)C4=CC=CC=C4Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNN=N3)C4=CC=CC=C4Cl)OC)OC

InChI

InChI=1S/C19H17ClN5O2/c1-11-8-12-9-16(26-2)17(27-3)10-14(12)18(13-6-4-5-7-15(13)20)25(11)19-21-23-24-22-19/h4-10H,1-3H3,(H,21,22,23,24)/q+1