2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1-methyl-quinolin-1-ium iodide

Systemtic Name: 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-[5-(4-chlorophenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-[5-(4-chlorophenyl)-2-furanyl]ethenyl]-1-methylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-[5-(4-chlorophenyl)furan-2-yl]ethenyl]-1-methylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-[5-(4-chlorophenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide Formula: C22H17ClINO MolecularWeight: 473.73395

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(O3)C4=CC=C(C=C4)Cl.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(O3)C4=CC=C(C=C4)Cl.[I-]

InChI

InChI=1S/C22H17ClNO.HI/c1-24-19(11-8-16-4-2-3-5-21(16)24)12-13-20-14-15-22(25-20)17-6-9-18(23)10-7-17;/h2-15H,1H3;1H/q+1;/p-1/b13-12+;