ethanesulfonate; 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one

Systemtic Name: ethanesulfonate; 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one Openeye Name: ethanesulfonate; 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one CAS Name: ethanesulfonate; 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one IUPAC Name: ethanesulfonate; 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one Traditional Name: 2-phenyl-4H-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one esylate Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=N[N+]3=C(C=CC4=CC=CC=C43)NC2=O

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=N[N+]3=C(C=CC4=CC=CC=C43)NC2=O

InChI

InChI=1S/C17H11N3O.C2H6O3S/c21-17-16(13-7-2-1-3-8-13)19-20-14-9-5-4-6-12(14)10-11-15(20)18-17;1-2-6(3,4)5/h1-11H;2H2,1H3,(H,3,4,5)