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

Systemtic Name: N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenyl-ethanamide Openeye Name: N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide CAS Name: N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide IUPAC Name: N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-N-phenylacetamide Traditional Name: N-[(E)-2-(3-butyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-N-phenyl-acetamide Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N2OS/c1-3-4-15-23-19-12-8-9-13-20(19)25-21(23)14-16-22(17(2)24)18-10-6-5-7-11-18/h5-14,16H,3-4,15H2,1-2H3/q+1