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

Systemtic Name: 6,7-dimethoxy-2-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 2-[(4-benzyloxy-3-methoxy-phenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 2-(4-benzoxy-3-methoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C26H30ClNO4 MolecularWeight: 455.9737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC.[Cl-]

InChI

InChI=1S/C26H29NO4.ClH/c1-28-24-13-20(9-10-23(24)31-18-19-7-5-4-6-8-19)16-27-12-11-21-14-25(29-2)26(30-3)15-22(21)17-27;/h4-10,13-15H,11-12,16-18H2,1-3H3;1H