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

Systemtic Name: 2-[(3-ethoxy-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-ethoxy-4-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-ethoxy-4-methoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-(3-ethoxy-4-methoxy-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:

CCOC1=C(C=CC(=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC

InChI

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