2-[(E)-2-chloranylprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride

Systemtic Name: 2-[(E)-2-chloranylprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride Openeye Name: 2-[(E)-2-chloroprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride CAS Name: 2-[(E)-2-chloroprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride IUPAC Name: 2-[(E)-2-chloroprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride Traditional Name: 2-[(E)-2-chloroprop-1-enyl]-3-ethyl-1,3-benzothiazol-3-ium chloride Formula: C12H13Cl2NS MolecularWeight: 274.20932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClNS.ClH/c1-3-14-10-6-4-5-7-11(10)15-12(14)8-9(2)13;/h4-8H,3H2,1-2H3;1H/q+1;/p-1/b9-8+;