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

Systemtic Name: 2-[(E)-2-[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]ethenyl]-1-methyl-quinolin-1-ium iodide Openeye Name: 2-[(E)-2-[5-(4-chloro-2-nitro-phenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide CAS Name: 2-[(E)-2-[5-(4-chloro-2-nitrophenyl)-2-furanyl]ethenyl]-1-methylquinolin-1-ium iodide IUPAC Name: 2-[(E)-2-[5-(4-chloro-2-nitrophenyl)furan-2-yl]ethenyl]-1-methylquinolin-1-ium iodide Traditional Name: 2-[(E)-2-[5-(4-chloro-2-nitro-phenyl)-2-furyl]vinyl]-1-methyl-quinolin-1-ium iodide Formula: C22H16ClIN2O3 MolecularWeight: 518.73151

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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=C(C=C(C=C4)Cl)[N+](=O)[O-].[I-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClN2O3.HI/c1-24-17(8-6-15-4-2-3-5-20(15)24)9-10-18-11-13-22(28-18)19-12-7-16(23)14-21(19)25(26)27;/h2-14H,1H3;1H/q+1;/p-1/b10-9+;