2-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(2,4-dimethoxy-3-methyl-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(2,4-dimethoxy-3-methyl-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC

InChI

InChI=1S/C21H27NO4/c1-14-18(23-2)7-6-16(21(14)26-5)12-22-9-8-15-10-19(24-3)20(25-4)11-17(15)13-22/h6-7,10-11H,8-9,12-13H2,1-5H3/p+1