6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)-1-(4-propan-2-ylphenyl)isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)-1-(4-propan-2-ylphenyl)isoquinolin-2-ium chloride Openeye Name: 1-(4-isopropylphenyl)-6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)-1-(4-propan-2-ylphenyl)isoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)-1-(4-propan-2-ylphenyl)isoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-3-methyl-2-(3-nitrophenyl)-1-p-cumenyl-isoquinolin-2-ium chloride Formula: C27H27ClN2O4 MolecularWeight: 478.96728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)C)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(C)C)OC)OC.[Cl-]

InChI

InChI=1S/C27H27N2O4.ClH/c1-17(2)19-9-11-20(12-10-19)27-24-16-26(33-5)25(32-4)14-21(24)13-18(3)28(27)22-7-6-8-23(15-22)29(30)31;/h6-17H,1-5H3;1H/q+1;/p-1