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

Systemtic Name: ethanesulfonate; 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Openeye Name: ethanesulfonate; 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine CAS Name: ethanesulfonate; 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine IUPAC Name: ethanesulfonate; 3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-amine Traditional Name: (3-phenyl-[1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-yl)amine esylate Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(N=C3C4=CC=CC=C4C=C[N+]3=N2)N

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC=C(C=C1)C2=C(N=C3C4=CC=CC=C4C=C[N+]3=N2)N

InChI

InChI=1S/C17H12N4.C2H6O3S/c18-16-15(13-7-2-1-3-8-13)20-21-11-10-12-6-4-5-9-14(12)17(21)19-16;1-2-6(3,4)5/h1-11,18H;2H2,1H3,(H,3,4,5)