(E)-3-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-prop-2-en-1-one chloride

Systemtic Name: (E)-3-(2-azanyl-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-prop-2-en-1-one chloride Openeye Name: (E)-3-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-prop-2-en-1-one chloride CAS Name: (E)-3-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-2-propen-1-one chloride IUPAC Name: (E)-3-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenylprop-2-en-1-one chloride Traditional Name: (E)-3-(2-amino-1,3-benzothiazol-3-ium-3-yl)-1-phenyl-prop-2-en-1-one chloride Formula: C16H13ClN2OS MolecularWeight: 316.80522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C=C[N+]2=C(SC3=CC=CC=C32)N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C=C/[N+]2=C(SC3=CC=CC=C32)N.[Cl-]

InChI

InChI=1S/C16H12N2OS.ClH/c17-16-18(13-8-4-5-9-15(13)20-16)11-10-14(19)12-6-2-1-3-7-12;/h1-11,17H;1H/b11-10+;