4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethyl-quinolin-1-ium iodide

Systemtic Name: 4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethyl-quinolin-1-ium iodide Openeye Name: 4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethyl-quinolin-1-ium iodide CAS Name: 4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethylquinolin-1-ium iodide IUPAC Name: 4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethylquinolin-1-ium iodide Traditional Name: 4-[(1E,3E,5E)-6-[4,6-bis(trichloromethyl)-s-triazin-2-yl]hexa-1,3,5-trienyl]-1-ethyl-quinolin-1-ium iodide Formula: C22H17Cl6IN4 MolecularWeight: 677.01965

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC=CC=CC3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C=C/C=C/C3=NC(=NC(=N3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl.[I-]

InChI

InChI=1S/C22H17Cl6N4.HI/c1-2-32-14-13-15(16-10-7-8-11-17(16)32)9-5-3-4-6-12-18-29-19(21(23,24)25)31-20(30-18)22(26,27)28;/h3-14H,2H2,1H3;1H/q+1;/p-1/b4-3+,9-5+,12-6+;