2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-2-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)vinyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Formula: C23H23IN2S MolecularWeight: 486.41159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C(N(C(=C3)C)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=C(N(C(=C3)C)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C23H23N2S.HI/c1-4-24-21-12-8-9-13-22(21)26-23(24)15-14-19-16-17(2)25(18(19)3)20-10-6-5-7-11-20;/h5-16H,4H2,1-3H3;1H/q+1;/p-1