5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine

Systemtic Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine Openeye Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine CAS Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine Traditional Name: [5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-3-yl]-dimethyl-amine Formula: C22H23ClN5O2+ MolecularWeight: 424.90332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)N(C)C)C4=CC=CC=C4Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)N(C)C)C4=CC=CC=C4Cl)OC)OC

InChI

InChI=1S/C22H23ClN5O2/c1-13-10-14-11-18(29-4)19(30-5)12-16(14)20(15-8-6-7-9-17(15)23)28(13)22-24-21(25-26-22)27(2)3/h6-12H,1-5H3,(H,24,25,26)/q+1