4-[1-(phenylmethyl)pyridin-1-ium-4-yl]-2H-isoquinolin-1-one

Systemtic Name: 4-[1-(phenylmethyl)pyridin-1-ium-4-yl]-2H-isoquinolin-1-one Openeye Name: 4-(1-benzylpyridin-1-ium-4-yl)-2H-isoquinolin-1-one CAS Name: 4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-2H-isoquinolin-1-one IUPAC Name: 4-(1-benzylpyridin-1-ium-4-yl)-2H-isoquinolin-1-one Traditional Name: 4-(1-benzylpyridin-1-ium-4-yl)isocarbostyril Formula: C21H17N2O+ MolecularWeight: 313.37248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H16N2O/c24-21-19-9-5-4-8-18(19)20(14-22-21)17-10-12-23(13-11-17)15-16-6-2-1-3-7-16/h1-14H,15H2/p+1