2-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)isoquinolin-2-ium-2-yl]phenol chloride

Systemtic Name: 2-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)isoquinolin-2-ium-2-yl]phenol chloride Openeye Name: 2-[1-(4-isopropylphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]phenol chloride CAS Name: 2-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)-2-isoquinolin-2-iumyl]phenol chloride IUPAC Name: 2-[6,7-dimethoxy-3-methyl-1-(4-propan-2-ylphenyl)isoquinolin-2-ium-2-yl]phenol chloride Traditional Name: 2-(6,7-dimethoxy-3-methyl-1-p-cumenyl-isoquinolin-2-ium-2-yl)phenol chloride Formula: C27H28ClNO3 MolecularWeight: 449.96912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3O)C4=CC=C(C=C4)C(C)C)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=CC=CC=C3O)C4=CC=C(C=C4)C(C)C)OC)OC.[Cl-]

InChI

InChI=1S/C27H27NO3.ClH/c1-17(2)19-10-12-20(13-11-19)27-22-16-26(31-5)25(30-4)15-21(22)14-18(3)28(27)23-8-6-7-9-24(23)29;/h6-17H,1-5H3;1H