2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium chloride

Systemtic Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium chloride Openeye Name: 2-[(E)-2-(2-chlorophenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium chloride CAS Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium chloride IUPAC Name: 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium chloride Traditional Name: 2-[(E)-2-(2-chlorophenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium chloride Formula: C16H13Cl2NS MolecularWeight: 322.25212

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3Cl.[Cl-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3Cl.[Cl-]

InChI

InChI=1S/C16H13ClNS.ClH/c1-18-14-8-4-5-9-15(14)19-16(18)11-10-12-6-2-3-7-13(12)17;/h2-11H,1H3;1H/q+1;/p-1/b11-10+;