3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N-(phenylmethyl)-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-(phenylmethyl)-1H-1,2,4-triazol-5-amine Openeye Name: N-benzyl-3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N-(phenylmethyl)-1H-1,2,4-triazol-5-amine IUPAC Name: N-benzyl-3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-amine Traditional Name: benzyl-[3-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1H-1,2,4-triazol-5-yl]amine Formula: C29H30N5O4+ MolecularWeight: 512.5796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NCC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NNC(=N3)NCC4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)OC)OC

InChI

InChI=1S/C29H30N5O4/c1-18-13-21-15-25(37-4)26(38-5)16-22(21)27(20-11-12-23(35-2)24(14-20)36-3)34(18)29-31-28(32-33-29)30-17-19-9-7-6-8-10-19/h6-16H,17H2,1-5H3,(H2,30,31,32,33)/q+1