5-bromanyl-7-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol

Systemtic Name: 5-bromanyl-7-methoxy-1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol CAS Name: 5-bromo-7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol IUPAC Name: 5-bromo-7-methoxy-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-5-bromo-7-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-8-ol Formula: C25H27BrNO4+ MolecularWeight: 485.39018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=C(C(=CC(=C3CC[NH2+]2)Br)OC)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=C(C(=CC(=C3CC[NH2+]2)Br)OC)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO4/c1-29-21-9-8-17(13-22(21)31-15-16-6-4-3-5-7-16)12-20-24-18(10-11-27-20)19(26)14-23(30-2)25(24)28/h3-9,13-14,20,27-28H,10-12,15H2,1-2H3/p+1