N-[2-[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: N-[2-[4-[3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[1-oxo-3-(3-oxo-1,4-benzoxazin-4-yl)propyl]-1-piperazin-1-iumyl]ethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[3-(3-keto-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-ium-1-yl]ethyl]-2-furamide Formula: C22H27N4O5+ MolecularWeight: 427.47358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)C(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=CO2)C(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O5/c27-20(7-9-26-17-4-1-2-5-18(17)31-16-21(26)28)25-13-11-24(12-14-25)10-8-23-22(29)19-6-3-15-30-19/h1-6,15H,7-14,16H2,(H,23,29)/p+1