2-azanyl-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-7-bromanyl-isoquinolin-2-ium-3-one

Systemtic Name: 2-azanyl-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]methyl]-7-bromanyl-isoquinolin-2-ium-3-one Openeye Name: 2-amino-7-bromo-2-[(3,5-difluoro-4-hydroxy-phenyl)methyl]isoquinolin-2-ium-3-one CAS Name: 2-amino-7-bromo-2-[(3,5-difluoro-4-hydroxyphenyl)methyl]-3-isoquinolin-2-iumone IUPAC Name: 2-amino-7-bromo-2-[(3,5-difluoro-4-hydroxyphenyl)methyl]isoquinolin-2-ium-3-one Traditional Name: 2-amino-7-bromo-2-(3,5-difluoro-4-hydroxy-benzyl)isoquinolin-2-ium-3-one Formula: C16H12BrF2N2O2+ MolecularWeight: 382.179486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C[N+](C(=O)C=C21)(CC3=CC(=C(C(=C3)F)O)F)N)Br

Isomeric SMILES

C1=CC(=CC2=C[N+](C(=O)C=C21)(CC3=CC(=C(C(=C3)F)O)F)N)Br

InChI

InChI=1S/C16H11BrF2N2O2/c17-12-2-1-10-6-15(22)21(20,8-11(10)5-12)7-9-3-13(18)16(23)14(19)4-9/h1-6,8H,7,20H2/p+1