7-chloranyl-1-methyl-2-oxidanyl-3-(2H-1,2,3,4-tetrazol-5-ylcarbonyl)-3H-quinolin-1-ium-4-one

Systemtic Name: 7-chloranyl-1-methyl-2-oxidanyl-3-(2H-1,2,3,4-tetrazol-5-ylcarbonyl)-3H-quinolin-1-ium-4-one Openeye Name: 7-chloro-2-hydroxy-1-methyl-3-(2H-tetrazole-5-carbonyl)-3H-quinolin-1-ium-4-one CAS Name: 7-chloro-2-hydroxy-1-methyl-3-[oxo(2H-tetrazol-5-yl)methyl]-3H-quinolin-1-ium-4-one IUPAC Name: 7-chloro-2-hydroxy-1-methyl-3-(2H-tetrazole-5-carbonyl)-3H-quinolin-1-ium-4-one Traditional Name: 7-chloro-2-hydroxy-1-methyl-3-(2H-tetrazole-5-carbonyl)-3H-quinolin-1-ium-4-one Formula: C12H9ClN5O3+ MolecularWeight: 306.68456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=C1C=C(C=C2)Cl)C(=O)C3=NNN=N3)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=C1C=C(C=C2)Cl)C(=O)C3=NNN=N3)O

InChI

InChI=1S/C12H8ClN5O3/c1-18-7-4-5(13)2-3-6(7)9(19)8(12(18)21)10(20)11-14-16-17-15-11/h2-4,8H,1H3,(H,14,15,16,17,20)/p+1