N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C21H24N5O6+ MolecularWeight: 442.44516

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H23N5O6/c27-20(23-14-15-3-6-19(22-13-15)24-8-10-31-11-9-24)2-1-7-25-17-5-4-16(26(29)30)12-18(17)32-21(25)28/h3-6,12-13H,1-2,7-11,14H2,(H,23,27)/p+1