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

Systemtic Name: 2-[(E)-2-chloranylprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium chloride Openeye Name: 2-[(E)-2-chloroprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium chloride CAS Name: 2-[(E)-2-chloroprop-1-enyl]-1-ethylbenzo[e][1,3]benzothiazol-1-ium chloride IUPAC Name: 2-[(E)-2-chloroprop-1-enyl]-1-ethylbenzo[e][1,3]benzothiazol-1-ium chloride Traditional Name: 2-[(E)-2-chloroprop-1-enyl]-1-ethyl-benzo[e][1,3]benzothiazol-1-ium chloride Formula: C16H15Cl2NS MolecularWeight: 324.268

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=C(C)Cl.[Cl-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)/C=C(\C)/Cl.[Cl-]

InChI

InChI=1S/C16H15ClNS.ClH/c1-3-18-15(10-11(2)17)19-14-9-8-12-6-4-5-7-13(12)16(14)18;/h4-10H,3H2,1-2H3;1H/q+1;/p-1/b11-10+;