5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-diethyl-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-diethyl-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-diethyl-1H-1,2,4-triazol-3-amine CAS Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N,N-diethyl-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N,N-diethyl-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]-diethyl-amine Formula: C24H27ClN5O2+ MolecularWeight: 452.95648

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=CC=C4Cl

Isomeric SMILES

CCN(CC)C1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H27ClN5O2/c1-6-29(7-2)23-26-24(28-27-23)30-15(3)12-16-13-20(31-4)21(32-5)14-18(16)22(30)17-10-8-9-11-19(17)25/h8-14H,6-7H2,1-5H3,(H,26,27,28)/q+1