ethanesulfonate; 2-methyl-1H-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol

Systemtic Name: ethanesulfonate; 2-methyl-1H-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol Openeye Name: ethanesulfonate; 2-methyl-1H-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol CAS Name: ethanesulfonate; 2-methyl-1H-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol IUPAC Name: ethanesulfonate; 2-methyl-1H-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol Traditional Name: 2-methyl-1H-[1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-ol esylate Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CC1(C=N[N+]2=C(N1)C3=CC=CC=C3C=C2)O

Isomeric SMILES

CCS(=O)(=O)[O-].CC1(C=N[N+]2=C(N1)C3=CC=CC=C3C=C2)O

InChI

InChI=1S/C12H11N3O.C2H6O3S/c1-12(16)8-13-15-7-6-9-4-2-3-5-10(9)11(15)14-12;1-2-6(3,4)5/h2-8,16H,1H3;2H2,1H3,(H,3,4,5)