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

Systemtic Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-N,N-diethyl-1H-1,2,4-triazol-3-amine Openeye Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-N,N-diethyl-1H-1,2,4-triazol-3-amine CAS Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-2-isoquinolin-2-iumyl]-N,N-diethyl-1H-1,2,4-triazol-3-amine IUPAC Name: 5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methylisoquinolin-2-ium-2-yl]-N,N-diethyl-1H-1,2,4-triazol-3-amine Traditional Name: [5-[6,7-dimethoxy-1-(4-methoxyphenyl)-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-3-yl]-diethyl-amine Formula: C25H30N5O3+ MolecularWeight: 448.5374

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N5O3/c1-7-29(8-2)24-26-25(28-27-24)30-16(3)13-18-14-21(32-5)22(33-6)15-20(18)23(30)17-9-11-19(31-4)12-10-17/h9-15H,7-8H2,1-6H3,(H,26,27,28)/q+1