1-butyl-1-methyl-6-(morpholin-4-ylmethyl)-3-oxidanyl-4-oxidanylidene-2H-cinnolin-1-ium-3-carboxamide

Systemtic Name: 1-butyl-1-methyl-6-(morpholin-4-ylmethyl)-3-oxidanyl-4-oxidanylidene-2H-cinnolin-1-ium-3-carboxamide Openeye Name: 1-butyl-3-hydroxy-1-methyl-6-(morpholinomethyl)-4-oxo-2H-cinnolin-1-ium-3-carboxamide CAS Name: 1-butyl-3-hydroxy-1-methyl-6-(4-morpholinylmethyl)-4-oxo-2H-cinnolin-1-ium-3-carboxamide IUPAC Name: 1-butyl-3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-4-oxo-2H-cinnolin-1-ium-3-carboxamide Traditional Name: 1-butyl-3-hydroxy-4-keto-1-methyl-6-(morpholinomethyl)-2H-cinnolin-1-ium-3-carboxamide Formula: C19H29N4O4+ MolecularWeight: 377.45796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(N1)(C(=O)N)O)C

Isomeric SMILES

CCCC[N+]1(C2=C(C=C(C=C2)CN3CCOCC3)C(=O)C(N1)(C(=O)N)O)C

InChI

InChI=1S/C19H28N4O4/c1-3-4-9-23(2)16-6-5-14(13-22-7-10-27-11-8-22)12-15(16)17(24)19(26,21-23)18(20)25/h5-6,12,21,26H,3-4,7-11,13H2,1-2H3,(H-,20,25)/p+1