ethanesulfonate; 4-(3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-yl)morpholine

Systemtic Name: ethanesulfonate; 4-(3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-yl)morpholine Openeye Name: ethanesulfonate; 4-(3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-yl)morpholine CAS Name: ethanesulfonate; 4-(3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-yl)morpholine IUPAC Name: ethanesulfonate; 4-(3-methyl-[1,2,4]triazino[3,2-a]isoquinolin-5-ium-2-yl)morpholine Traditional Name: 4-(3-methyl-[1,2,4]triazin[3,2-a]isoquinolin-5-ium-2-yl)morpholine esylate Formula: C18H22N4O4S MolecularWeight: 390.45668

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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)N4CCOCC4

Isomeric SMILES

CCS(=O)(=O)[O-].CC1=C(N=C2C3=CC=CC=C3C=C[N+]2=N1)N4CCOCC4

InChI

InChI=1S/C16H17N4O.C2H6O3S/c1-12-15(19-8-10-21-11-9-19)17-16-14-5-3-2-4-13(14)6-7-20(16)18-12;1-2-6(3,4)5/h2-7H,8-11H2,1H3;2H2,1H3,(H,3,4,5)/q+1;/p-1