(2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-4-yl)methylidene]quinoline bromide

Systemtic Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-4-yl)methylidene]quinoline bromide Openeye Name: (2E)-2-[(1-allylquinolin-1-ium-4-yl)methylene]-1-ethyl-6-methyl-quinoline bromide CAS Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enyl-4-quinolin-1-iumyl)methylidene]quinoline bromide IUPAC Name: (2E)-1-ethyl-6-methyl-2-[(1-prop-2-enylquinolin-1-ium-4-yl)methylidene]quinoline bromide Traditional Name: (2E)-2-[(1-allylquinolin-1-ium-4-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=CC=[N+](C3=CC=CC=C23)CC=C)C=CC4=C1C=CC(=C4)C.[Br-]

Isomeric SMILES

CCN1/C(=C/C2=CC=[N+](C3=CC=CC=C23)CC=C)/C=CC4=C1C=CC(=C4)C.[Br-]

InChI

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