4-[(6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride

Systemtic Name: 4-[(6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride Openeye Name: 4-[(5-benzyloxy-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride CAS Name: 4-[(6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride IUPAC Name: 4-[(6,7-dimethoxy-5-phenylmethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride Traditional Name: 4-[(5-benzoxy-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]phenol chloride Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=CC=C(C=C3)O)OCC4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=CC=C(C=C3)O)OCC4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C25H25NO4.ClH/c1-28-23-15-21-20(12-13-26-22(21)14-17-8-10-19(27)11-9-17)24(25(23)29-2)30-16-18-6-4-3-5-7-18;/h3-11,15,27H,12-14,16H2,1-2H3;1H