2-azanyl-5-methyl-1,3-thiazol-3-ium-4-one; diphenyl phosphate

Systemtic Name: 2-azanyl-5-methyl-1,3-thiazol-3-ium-4-one; diphenyl phosphate Openeye Name: 2-amino-5-methyl-thiazol-3-ium-4-one; diphenyl phosphate CAS Name: 2-amino-5-methyl-4-thiazol-3-iumone; diphenyl phosphate IUPAC Name: 2-amino-5-methyl-1,3-thiazol-3-ium-4-one; diphenyl phosphate Traditional Name: 2-amino-5-methyl-2-thiazolin-3-ium-4-one; diphenyl phosphate Formula: C16H17N2O5PS MolecularWeight: 380.355341

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)[NH+]=C(S1)N.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

Isomeric SMILES

CC1C(=O)[NH+]=C(S1)N.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

InChI

InChI=1S/C12H11O4P.C4H6N2OS/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-3(7)6-4(5)8-2/h1-10H,(H,13,14);2H,1H3,(H2,5,6,7)