3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenyl-benzimidazol-2-ylidene)prop-1-enyl]-6-fluoranyl-3-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenyl-benzimidazol-2-ylidene)prop-1-enyl]-6-fluoranyl-3-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenyl-benzimidazol-2-ylidene)prop-1-enyl]-6-fluoro-3-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate CAS Name: 3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenyl-2-benzimidazolylidene)prop-1-enyl]-6-fluoro-3-methyl-1-benzimidazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenylbenzimidazol-2-ylidene)prop-1-enyl]-6-fluoro-3-methylbenzimidazol-3-ium-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E,3Z)-3-(3-ethyl-1-methyl-5-phenyl-benzimidazol-2-ylidene)prop-1-enyl]-6-fluoro-3-methyl-benzimidazol-3-ium-1-yl]propane-1-sulfonate Formula: C30H31FN4O3S MolecularWeight: 546.655543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)N(C1=CC=CC4=[N+](C5=C(N4CCCS(=O)(=O)[O-])C=C(C=C5)F)C)C

Isomeric SMILES

CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)N(/C1=C/C=C/C4=[N+](C5=C(N4CCCS(=O)(=O)[O-])C=C(C=C5)F)C)C

InChI

InChI=1S/C30H31FN4O3S/c1-4-34-27-20-23(22-10-6-5-7-11-22)14-16-25(27)32(2)29(34)12-8-13-30-33(3)26-17-15-24(31)21-28(26)35(30)18-9-19-39(36,37)38/h5-8,10-17,20-21H,4,9,18-19H2,1-3H3