N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate

Systemtic Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Openeye Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]aniline; methyl sulfate CAS Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate IUPAC Name: N-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]aniline; methyl sulfate Traditional Name: [(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-phenyl-amine; methyl sulfate Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CNC3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/NC3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2S.CH4O4S/c1-18-14-9-5-6-10-15(14)19-16(18)11-12-17-13-7-3-2-4-8-13;1-5-6(2,3)4/h2-12H,1H3;1H3,(H,2,3,4)