4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one; methyl sulfate

Systemtic Name: 4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one; methyl sulfate Openeye Name: 4,5-dimethyl-2-phenyl-thiazolo[3,2-a]quinoxalin-3-ium-1-one; methyl sulfate CAS Name: 4,5-dimethyl-2-phenyl-1-thiazolo[3,2-a]quinoxalin-3-iumone; methyl sulfate IUPAC Name: 4,5-dimethyl-2-phenyl-[1,3]thiazolo[3,2-a]quinoxalin-3-ium-1-one; methyl sulfate Traditional Name: 4,5-dimethyl-2-phenyl-thiazolo[3,2-a]quinoxalin-3-ium-1-one; methyl sulfate Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2N(C3=CC=CC=C3N1C)C(=O)C(=[S+]2)C4=CC=CC=C4.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=C2N(C3=CC=CC=C3N1C)C(=O)C(=[S+]2)C4=CC=CC=C4.COS(=O)(=O)[O-]

InChI

InChI=1S/C18H15N2OS.CH4O4S/c1-12-18-20(15-11-7-6-10-14(15)19(12)2)17(21)16(22-18)13-8-4-3-5-9-13;1-5-6(2,3)4/h3-11H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1