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

Systemtic Name: 3-[[1-(phenylmethyl)pyridin-1-ium-4-yl]amino]-2H-isoquinolin-1-one Openeye Name: 3-[(1-benzylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one CAS Name: 3-[[1-(phenylmethyl)-4-pyridin-1-iumyl]amino]-2H-isoquinolin-1-one IUPAC Name: 3-[(1-benzylpyridin-1-ium-4-yl)amino]-2H-isoquinolin-1-one Traditional Name: 3-[(1-benzylpyridin-1-ium-4-yl)amino]isocarbostyril Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O/c25-21-19-9-5-4-8-17(19)14-20(23-21)22-18-10-12-24(13-11-18)15-16-6-2-1-3-7-16/h1-14H,15H2,(H,23,25)/p+1