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

Systemtic Name: 3-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-cyclohexyl-1H-1,2,4-triazol-5-amine Openeye Name: 3-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-cyclohexyl-1H-1,2,4-triazol-5-amine CAS Name: 3-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-cyclohexyl-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N-cyclohexyl-1H-1,2,4-triazol-5-amine Traditional Name: [3-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-yl]-cyclohexyl-amine Formula: C26H29ClN5O2+ MolecularWeight: 478.99376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4CCCCC4)C5=CC=CC=C5Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NC4CCCCC4)C5=CC=CC=C5Cl)OC)OC

InChI

InChI=1S/C26H29ClN5O2/c1-16-13-17-14-22(33-2)23(34-3)15-20(17)24(19-11-7-8-12-21(19)27)32(16)26-29-25(30-31-26)28-18-9-5-4-6-10-18/h7-8,11-15,18H,4-6,9-10H2,1-3H3,(H2,28,29,30,31)/q+1