N-[bis(azanyl)methylidene]-1-ethyl-1-quinolin-6-yl-pyrazol-1-ium-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-1-ethyl-1-quinolin-6-yl-pyrazol-1-ium-4-carboxamide Openeye Name: N-(diaminomethylene)-1-ethyl-1-(6-quinolyl)pyrazol-1-ium-4-carboxamide CAS Name: N-(diaminomethylidene)-1-ethyl-1-(6-quinolinyl)-4-pyrazol-1-iumcarboxamide IUPAC Name: N-(diaminomethylidene)-1-ethyl-1-quinolin-6-ylpyrazol-1-ium-4-carboxamide Traditional Name: N-(diaminomethylene)-1-ethyl-1-(6-quinolyl)pyrazol-1-ium-4-carboxamide Formula: C16H17N6O+ MolecularWeight: 309.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C=N1)C(=O)N=C(N)N)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC[N+]1(C=C(C=N1)C(=O)N=C(N)N)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C16H16N6O/c1-2-22(10-12(9-20-22)15(23)21-16(17)18)13-5-6-14-11(8-13)4-3-7-19-14/h3-10H,2H2,1H3,(H3-,17,18,21,23)/p+1