ethanesulfonate; 3-methyl-1H-[1,2,4]triazino[3,2-a]isoquinoline-1,5-diium-2-one

Systemtic Name: ethanesulfonate; 3-methyl-1H-[1,2,4]triazino[3,2-a]isoquinoline-1,5-diium-2-one Openeye Name: ethanesulfonate; 3-methyl-1H-[1,2,4]triazino[3,2-a]isoquinoline-1,5-diium-2-one CAS Name: ethanesulfonate; 3-methyl-1H-[1,2,4]triazino[3,2-a]isoquinoline-1,5-diium-2-one IUPAC Name: ethanesulfonate; 3-methyl-1H-[1,2,4]triazino[3,2-a]isoquinoline-1,5-diium-2-one Traditional Name: 3-methyl-1H-[1,2,4]triazin[3,2-a]isoquinoline-1,5-diium-2-one diesylate Formula: C16H21N3O7S2 MolecularWeight: 431.48384

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CC1=N[N+]2=C(C3=CC=CC=C3C=C2)[NH2+]C1=O

Isomeric SMILES

CCS(=O)(=O)[O-].CCS(=O)(=O)[O-].CC1=N[N+]2=C(C3=CC=CC=C3C=C2)[NH2+]C1=O

InChI

InChI=1S/C12H9N3O.2C2H6O3S/c1-8-12(16)13-11-10-5-3-2-4-9(10)6-7-15(11)14-8;2*1-2-6(3,4)5/h2-7H,1H3;2*2H2,1H3,(H,3,4,5)