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

Systemtic Name: ethanesulfonate; 3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Openeye Name: ethanesulfonate; 3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine CAS Name: ethanesulfonate; 3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine IUPAC Name: ethanesulfonate; 3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Traditional Name: (3-methyl-[1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-yl)amine esylate Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].CC1=C(N=C2C3=CC=CC=C3C=C[N+]2=N1)N

Isomeric SMILES

CCS(=O)(=O)[O-].CC1=C(N=C2C3=CC=CC=C3C=C[N+]2=N1)N

InChI

InChI=1S/C12H10N4.C2H6O3S/c1-8-11(13)14-12-10-5-3-2-4-9(10)6-7-16(12)15-8;1-2-6(3,4)5/h2-7,13H,1H3;2H2,1H3,(H,3,4,5)