2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1-prop-2-enyl-quinolin-1-ium bromide

Systemtic Name: 2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1-prop-2-enyl-quinolin-1-ium bromide Openeye Name: 1-allyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]quinolin-1-ium bromide CAS Name: 2-[(E)-2-[5-(4-nitrophenyl)-2-furanyl]ethenyl]-1-prop-2-enylquinolin-1-ium bromide IUPAC Name: 2-[(E)-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]-1-prop-2-enylquinolin-1-ium bromide Traditional Name: 1-allyl-2-[(E)-2-[5-(4-nitrophenyl)-2-furyl]vinyl]quinolin-1-ium bromide Formula: C24H19BrN2O3 MolecularWeight: 463.32326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19N2O3.BrH/c1-2-17-25-20(10-7-18-5-3-4-6-23(18)25)13-14-22-15-16-24(29-22)19-8-11-21(12-9-19)26(27)28;/h2-16H,1,17H2;1H/q+1;/p-1/b14-13+;