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

Systemtic Name: 3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-phenyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N-phenyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-yl]-phenyl-amine Formula: C28H28N5O4+ MolecularWeight: 498.55302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC)OC

InChI

InChI=1S/C28H28N5O4/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,(H2,29,30,31,32)/q+1