(4-hydroxyphenyl)-(2-methyl-6-oxidanyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone bromide

Systemtic Name: (4-hydroxyphenyl)-(2-methyl-6-oxidanyl-3,4-dihydroisoquinolin-2-ium-1-yl)methanone bromide Openeye Name: (6-hydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-hydroxyphenyl)methanone bromide CAS Name: (6-hydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-hydroxyphenyl)methanone bromide IUPAC Name: (6-hydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-hydroxyphenyl)methanone bromide Traditional Name: (6-hydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)-(4-hydroxyphenyl)methanone bromide Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=C(CC1)C=C(C=C2)O)C(=O)C3=CC=C(C=C3)O.[Br-]

Isomeric SMILES

C[N+]1=C(C2=C(CC1)C=C(C=C2)O)C(=O)C3=CC=C(C=C3)O.[Br-]

InChI

InChI=1S/C17H15NO3.BrH/c1-18-9-8-12-10-14(20)6-7-15(12)16(18)17(21)11-2-4-13(19)5-3-11;/h2-7,10H,8-9H2,1H3,(H,19,21);1H