6-(2-isoquinolin-2-ium-2-ylethanoyl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(2-isoquinolin-2-ium-2-ylethanoyl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-(2-isoquinolin-2-ium-2-ylacetyl)-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(2-isoquinolin-2-ium-2-ylacetyl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-(2-isoquinolin-2-ium-2-ylacetyl)-4H-1,4-benzoxazin-3-one Formula: C19H15N2O3+ MolecularWeight: 319.334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C19H14N2O3/c22-17(11-21-8-7-13-3-1-2-4-15(13)10-21)14-5-6-18-16(9-14)20-19(23)12-24-18/h1-10H,11-12H2/p+1