(2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-2-yl)methylidene]quinoline bromide

Systemtic Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-2-yl)methylidene]quinoline bromide Openeye Name: (2E)-2-[(1-allylquinolin-1-ium-2-yl)methylene]-1-ethyl-6-methyl-quinoline bromide CAS Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-2-quinolin-1-iumyl)methylidene]quinoline bromide IUPAC Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-2-yl)methylidene]quinoline bromide Traditional Name: (2E)-2-[(1-allylquinolin-1-ium-2-yl)methylene]-1-ethyl-6-methyl-quinoline bromide Formula: C25H25BrN2 MolecularWeight: 433.3834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC=C)C=CC4=C1C=CC(=C4)C.[Br-]

Isomeric SMILES

CCN1/C(=C/C2=[N+](C3=CC=CC=C3C=C2)CC=C)/C=CC4=C1C=CC(=C4)C.[Br-]

InChI

InChI=1S/C25H25N2.BrH/c1-4-16-27-23(13-11-20-8-6-7-9-24(20)27)18-22-14-12-21-17-19(3)10-15-25(21)26(22)5-2;/h4,6-15,17-18H,1,5,16H2,2-3H3;1H/q+1;/p-1