N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]ethenyl]-N-methyl-aniline iodide

Systemtic Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]ethenyl]-N-methyl-aniline iodide Openeye Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]vinyl]-N-methyl-aniline iodide CAS Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-2-benzimidazol-3-iumyl]ethenyl]-N-methylaniline iodide IUPAC Name: N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline iodide Traditional Name: [(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenyl-benzimidazol-3-ium-2-yl]vinyl]-methyl-phenyl-amine iodide Formula: C31H27IN4S MolecularWeight: 614.54235

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C=CN(C)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=C(C=C2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)/C=C/N(C)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C31H27N4S.HI/c1-3-34-28-22-23(31-32-26-16-10-11-17-29(26)36-31)18-19-27(28)35(25-14-8-5-9-15-25)30(34)20-21-33(2)24-12-6-4-7-13-24;/h4-22H,3H2,1-2H3;1H/q+1;/p-1