1-[4-(3-azanyl-1H-isoquinolin-2-yl)phenyl]ethanone bromide

Systemtic Name: 1-[4-(3-azanyl-1H-isoquinolin-2-yl)phenyl]ethanone bromide Openeye Name: 1-[4-(3-amino-1H-isoquinolin-2-yl)phenyl]ethanone bromide CAS Name: 1-[4-(3-amino-1H-isoquinolin-2-yl)phenyl]ethanone bromide IUPAC Name: 1-[4-(3-amino-1H-isoquinolin-2-yl)phenyl]ethanone bromide Traditional Name: 1-[4-(3-amino-1H-isoquinolin-2-yl)phenyl]ethanone bromide Formula: C17H16BrN2O- MolecularWeight: 344.22574

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C=C2N.[Br-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC3=CC=CC=C3C=C2N.[Br-]

InChI

InChI=1S/C17H16N2O.BrH/c1-12(20)13-6-8-16(9-7-13)19-11-15-5-3-2-4-14(15)10-17(19)18;/h2-10H,11,18H2,1H3;1H/p-1