N-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide

Systemtic Name: N-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide Openeye Name: N-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide CAS Name: N-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide IUPAC Name: N-[(E)-2-(3-octadecyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide Traditional Name: N-phenyl-N-[(E)-2-(3-stearyl-1,3-benzothiazol-3-ium-2-yl)vinyl]acetamide Formula: C35H51N2OS+ MolecularWeight: 547.85724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(SC2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C35H51N2OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-29-37-33-26-21-22-27-34(33)39-35(37)28-30-36(31(2)38)32-24-19-18-20-25-32/h18-22,24-28,30H,3-17,23,29H2,1-2H3/q+1