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

Systemtic Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 7-benzyloxy-1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-7-phenylmethoxy-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 7-benzoxy-1-(3-benzoxy-4-methoxy-benzyl)-6-methoxy-3,4-dihydroisoquinolin-2-ium chloride Formula: C32H32ClNO4 MolecularWeight: 530.05378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)OCC5=CC=CC=C5.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[NH+]CCC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)OCC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C32H31NO4.ClH/c1-34-29-14-13-25(18-31(29)36-21-23-9-5-3-6-10-23)17-28-27-20-32(37-22-24-11-7-4-8-12-24)30(35-2)19-26(27)15-16-33-28;/h3-14,18-20H,15-17,21-22H2,1-2H3;1H