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

Systemtic Name: 6-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H18N3O3+ MolecularWeight: 312.34312

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H17N3O3/c1-19(2)13-5-7-20(8-6-13)10-15(21)12-3-4-16-14(9-12)18-17(22)11-23-16/h3-9H,10-11H2,1-2H3/p+1