4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-aniline iodide

Systemtic Name: 4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)vinyl]-N,N-dimethyl-aniline iodide CAS Name: 4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline iodide IUPAC Name: 4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)ethenyl]-N,N-dimethylaniline iodide Traditional Name: [4-[(E)-2-(3-butyl-2H-1,3-benzothiazol-2-yl)vinyl]phenyl]-dimethyl-amine iodide Formula: C21H26IN2S- MolecularWeight: 465.41401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

CCCCN1C(SC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C21H26N2S.HI/c1-4-5-16-23-19-8-6-7-9-20(19)24-21(23)15-12-17-10-13-18(14-11-17)22(2)3;/h6-15,21H,4-5,16H2,1-3H3;1H/p-1/b15-12+;