1-[(3-bromanyl-4-methoxy-phenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride Openeye Name: 7-benzyloxy-1-[(3-bromo-4-methoxy-phenyl)methyl]-6-methoxy-3,4-dihydroisoquinoline chloride CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline chloride Traditional Name: 7-benzoxy-1-(3-bromo-4-methoxy-benzyl)-6-methoxy-3,4-dihydroisoquinoline chloride Formula: C25H24BrClNO3- MolecularWeight: 501.81996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)Br.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OCC4=CC=CC=C4)OC)Br.[Cl-]

InChI

InChI=1S/C25H24BrNO3.ClH/c1-28-23-9-8-18(12-21(23)26)13-22-20-15-25(30-16-17-6-4-3-5-7-17)24(29-2)14-19(20)10-11-27-22;/h3-9,12,14-15H,10-11,13,16H2,1-2H3;1H/p-1