N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide iodide CAS Name: N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide IUPAC Name: N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide iodide Traditional Name: N-[(1E,3E)-4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide iodide Formula: C22H23IN2O2S MolecularWeight: 506.39969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)OC)C=CC=CN(C3=CC=CC=C3)C(=O)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)OC)/C=C/C=C/N(C3=CC=CC=C3)C(=O)C.[I-]

InChI

InChI=1S/C22H23N2O2S.HI/c1-4-23-20-14-13-19(26-3)16-21(20)27-22(23)12-8-9-15-24(17(2)25)18-10-6-5-7-11-18;/h5-16H,4H2,1-3H3;1H/q+1;/p-1