1-[[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxy-phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide

Systemtic Name: 1-[[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxy-phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Openeye Name: 1-[[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxy-phenyl]methyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide CAS Name: 1-[[2-(2,5-dimethyl-1-pyrrolyl)-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium iodide IUPAC Name: 1-[[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium iodide Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethoxy-benzyl]-6,7-dimethoxy-2-methyl-isoquinolin-2-ium iodide Formula: C27H31IN2O4 MolecularWeight: 574.45051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C)OC)OC)C.[I-]

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C)OC)OC)C.[I-]

InChI

InChI=1S/C27H31N2O4.HI/c1-17-8-9-18(2)29(17)22-16-27(33-7)25(31-5)14-20(22)12-23-21-15-26(32-6)24(30-4)13-19(21)10-11-28(23)3;/h8-11,13-16H,12H2,1-7H3;1H/q+1;/p-1