ethanesulfonate; 2-([1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol

Systemtic Name: ethanesulfonate; 2-([1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol Openeye Name: ethanesulfonate; 2-([1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol CAS Name: ethanesulfonate; 2-([1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol IUPAC Name: ethanesulfonate; 2-([1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol Traditional Name: 2-([1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-ylamino)ethanol esylate Formula: C15H18N4O4S MolecularWeight: 350.39282

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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)NCCO

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O.C2H6O3S/c18-8-6-14-12-9-15-17-7-5-10-3-1-2-4-11(10)13(17)16-12;1-2-6(3,4)5/h1-5,7,9,18H,6,8H2;2H2,1H3,(H,3,4,5)