3-[(1-phenylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one

Systemtic Name: 3-[(1-phenylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one Openeye Name: 3-[(1-phenylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one CAS Name: 3-[(1-phenyl-4-pyridin-1-iumyl)amino]-2H-isoquinolin-1-one IUPAC Name: 3-[(1-phenylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one Traditional Name: 3-[(1-phenylpyridin-1-ium-4-yl)amino]isocarbostyril Formula: C20H16N3O+ MolecularWeight: 314.36054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CC=C(C=C2)NC3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CC=C(C=C2)NC3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H15N3O/c24-20-18-9-5-4-6-15(18)14-19(22-20)21-16-10-12-23(13-11-16)17-7-2-1-3-8-17/h1-14H,(H,22,24)/p+1