2-[(E)-2-[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]ethenyl]-1-methyl-quinolin-1-ium iodide

Systemtic Name: 2-[(E)-2-[5-(3-chloranyl-4-methoxy-phenyl)furan-2-yl]ethenyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-[5-(3-chloro-4-methoxyphenyl)-2-furanyl]ethenyl]-1-methylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]ethenyl]-1-methylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide Formula: C23H19ClINO2 MolecularWeight: 503.75993

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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)OC)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClNO2.HI/c1-25-18(9-7-16-5-3-4-6-21(16)25)10-11-19-12-14-22(27-19)17-8-13-23(26-2)20(24)15-17;/h3-15H,1-2H3;1H/q+1;/p-1/b11-10+;