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

Systemtic Name: ethanesulfonate; [1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Openeye Name: ethanesulfonate; [1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine CAS Name: ethanesulfonate; [1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine IUPAC Name: ethanesulfonate; [1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Traditional Name: [1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-ylamine esylate Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=NC=C(N=C23)N

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=NC=C(N=C23)N

InChI

InChI=1S/C11H8N4.C2H6O3S/c12-10-7-13-15-6-5-8-3-1-2-4-9(8)11(15)14-10;1-2-6(3,4)5/h1-7,12H;2H2,1H3,(H,3,4,5)