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

Systemtic Name: N-[4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-ethanamide Openeye Name: N-[4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide CAS Name: N-[4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide IUPAC Name: N-[4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenylacetamide Traditional Name: N-[4-(3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)buta-1,3-dienyl]-N-phenyl-acetamide Formula: C22H23N2O2S+ MolecularWeight: 379.49522

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N2O2S/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/q+1