dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]phenyl]azanium; hydrogen phosphate

Systemtic Name: dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]phenyl]azanium; hydrogen phosphate Openeye Name: dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]phenyl]ammonium; hydrogen phosphate CAS Name: dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]phenyl]ammonium; hydrogen phosphate IUPAC Name: dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)diazenyl]phenyl]azanium; hydrogen phosphate Traditional Name: dimethyl-[2-[(3-methyl-6-methyloxonio-2H-1,3-benzothiazol-2-yl)azo]phenyl]ammonium; hydrogen phosphate Formula: C17H23N4O5PS MolecularWeight: 426.427081

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(SC2=C1C=CC(=C2)[OH+]C)N=NC3=CC=CC=C3[NH+](C)C.OP(=O)([O-])[O-]

Isomeric SMILES

CN1C(SC2=C1C=CC(=C2)[OH+]C)N=NC3=CC=CC=C3[NH+](C)C.OP(=O)([O-])[O-]

InChI

InChI=1S/C17H20N4OS.H3O4P/c1-20(2)14-8-6-5-7-13(14)18-19-17-21(3)15-10-9-12(22-4)11-16(15)23-17;1-5(2,3)4/h5-11,17H,1-4H3;(H3,1,2,3,4)