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

Systemtic Name: 1,2-dihydro-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol; ethanesulfonate Openeye Name: 1,2-dihydro-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol; ethanesulfonate CAS Name: 1,2-dihydro-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol; ethanesulfonate IUPAC Name: 1,2-dihydro-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-ol; ethanesulfonate Traditional Name: 1,2-dihydro-[1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-ol esylate Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2NC(C=N3)O

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC=C2C(=C1)C=C[N+]3=C2NC(C=N3)O

InChI

InChI=1S/C11H9N3O.C2H6O3S/c15-10-7-12-14-6-5-8-3-1-2-4-9(8)11(14)13-10;1-2-6(3,4)5/h1-7,10,15H;2H2,1H3,(H,3,4,5)