4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide

Systemtic Name: 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-(3-oxidanylpyridin-1-ium-2-yl)butanamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-4-(2-keto-1,3-benzoxazol-3-yl)butyramide Formula: C16H16N3O4+ MolecularWeight: 314.31594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCCC(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C16H15N3O4/c20-12-6-3-9-17-15(12)18-14(21)8-4-10-19-11-5-1-2-7-13(11)23-16(19)22/h1-3,5-7,9,20H,4,8,10H2,(H,17,18,21)/p+1