N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]oxazole-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-4-oxazolecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-2-[(3-oxo-1,4-benzoxazin-4-yl)methyl]-1,3-oxazole-4-carboxamide Traditional Name: 2-[(3-keto-1,4-benzoxazin-4-yl)methyl]-N-(3-morpholin-4-ium-4-ylpropyl)oxazole-4-carboxamide Formula: C20H25N4O5+ MolecularWeight: 401.4363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=COC(=N2)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=COC(=N2)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C20H24N4O5/c25-19-14-28-17-5-2-1-4-16(17)24(19)12-18-22-15(13-29-18)20(26)21-6-3-7-23-8-10-27-11-9-23/h1-2,4-5,13H,3,6-12,14H2,(H,21,26)/p+1