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

Systemtic Name: ethanesulfonate; 4-methyl-2-phenyl-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one Openeye Name: ethanesulfonate; 4-methyl-2-phenyl-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one CAS Name: ethanesulfonate; 4-methyl-2-phenyl-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one IUPAC Name: ethanesulfonate; 4-methyl-2-phenyl-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one Traditional Name: 4-methyl-2-phenyl-[1,2,4]triazino[2,3-a]quinolin-11-ium-3-one esylate Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CN1C2=[N+](C3=CC=CC=C3C=C2)N=C(C1=O)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)[O-].CN1C2=[N+](C3=CC=CC=C3C=C2)N=C(C1=O)C4=CC=CC=C4

InChI

InChI=1S/C18H14N3O.C2H6O3S/c1-20-16-12-11-13-7-5-6-10-15(13)21(16)19-17(18(20)22)14-8-3-2-4-9-14;1-2-6(3,4)5/h2-12H,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1