1-[(2-bromanyl-5-oxidanyl-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol

Systemtic Name: 1-[(2-bromanyl-5-oxidanyl-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol Openeye Name: 1-[(2-bromo-5-hydroxy-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol CAS Name: 1-[(2-bromo-5-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol IUPAC Name: 1-[(2-bromo-5-hydroxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol Traditional Name: 1-(2-bromo-5-hydroxy-benzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium-5-ol Formula: C18H19BrNO4+ MolecularWeight: 393.25176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=C(C=CC(=C3)O)Br)O)OC

Isomeric SMILES

COC1=C(C(=C2CC[NH+]=C(C2=C1)CC3=C(C=CC(=C3)O)Br)O)OC

InChI

InChI=1S/C18H18BrNO4/c1-23-16-9-13-12(17(22)18(16)24-2)5-6-20-15(13)8-10-7-11(21)3-4-14(10)19/h3-4,7,9,21-22H,5-6,8H2,1-2H3/p+1