2-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-1-prop-2-enyl-quinolin-1-ium bromide

Systemtic Name: 2-[(E)-2-(4-bromanyl-3-nitro-phenyl)ethenyl]-1-prop-2-enyl-quinolin-1-ium bromide Openeye Name: 1-allyl-2-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]quinolin-1-ium bromide CAS Name: 2-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-1-prop-2-enylquinolin-1-ium bromide IUPAC Name: 2-[(E)-2-(4-bromo-3-nitrophenyl)ethenyl]-1-prop-2-enylquinolin-1-ium bromide Traditional Name: 1-allyl-2-[(E)-2-(4-bromo-3-nitro-phenyl)vinyl]quinolin-1-ium bromide Formula: C20H16Br2N2O2 MolecularWeight: 476.16124

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C=C3)Br)[N+](=O)[O-].[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN2O2.BrH/c1-2-13-22-17(11-9-16-5-3-4-6-19(16)22)10-7-15-8-12-18(21)20(14-15)23(24)25;/h2-12,14H,1,13H2;1H/q+1;/p-1/b10-7+;