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

Systemtic Name: N,N-dimethyl-4-[(E)-2-[3-(3-phenylmethoxypropyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline iodide Openeye Name: 4-[(E)-2-[3-(3-benzyloxypropyl)-2H-1,3-benzothiazol-2-yl]vinyl]-N,N-dimethyl-aniline iodide CAS Name: N,N-dimethyl-4-[(E)-2-[3-(3-phenylmethoxypropyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline iodide IUPAC Name: N,N-dimethyl-4-[(E)-2-[3-(3-phenylmethoxypropyl)-2H-1,3-benzothiazol-2-yl]ethenyl]aniline iodide Traditional Name: [4-[(E)-2-[3-(3-benzoxypropyl)-2H-1,3-benzothiazol-2-yl]vinyl]phenyl]-dimethyl-amine iodide Formula: C27H30IN2OS- MolecularWeight: 557.50937

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2N(C3=CC=CC=C3S2)CCCOCC4=CC=CC=C4.[I-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2N(C3=CC=CC=C3S2)CCCOCC4=CC=CC=C4.[I-]

InChI

InChI=1S/C27H30N2OS.HI/c1-28(2)24-16-13-22(14-17-24)15-18-27-29(25-11-6-7-12-26(25)31-27)19-8-20-30-21-23-9-4-3-5-10-23;/h3-7,9-18,27H,8,19-21H2,1-2H3;1H/p-1/b18-15+;