1,3-benzothiazol-2-ylmethylidene-(4-dimethylaminophenyl)azanium; ethyl sulfate

Systemtic Name: 1,3-benzothiazol-2-ylmethylidene-(4-dimethylaminophenyl)azanium; ethyl sulfate Openeye Name: 1,3-benzothiazol-2-ylmethylene-(4-dimethylaminophenyl)ammonium; ethyl sulfate CAS Name: 1,3-benzothiazol-2-ylmethylidene-(4-dimethylaminophenyl)ammonium; ethyl sulfate IUPAC Name: 1,3-benzothiazol-2-ylmethylidene-(4-dimethylaminophenyl)azanium; ethyl sulfate Traditional Name: 1,3-benzothiazol-2-ylmethylene-(4-dimethylaminophenyl)ammonium; ethyl sulfate Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCOS(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)[NH+]=CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOS(=O)(=O)[O-].CN(C)C1=CC=C(C=C1)[NH+]=CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H15N3S.C2H6O4S/c1-19(2)13-9-7-12(8-10-13)17-11-16-18-14-5-3-4-6-15(14)20-16;1-2-6-7(3,4)5/h3-11H,1-2H3;2H2,1H3,(H,3,4,5)