6-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-benzylpyridin-1-ium-1-yl)acetyl]-4H-1,4-benzoxazin-3-one Formula: C22H19N2O3+ MolecularWeight: 359.39786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3/c25-20(18-6-7-21-19(13-18)23-22(26)15-27-21)14-24-10-8-17(9-11-24)12-16-4-2-1-3-5-16/h1-11,13H,12,14-15H2/p+1