4-[(1E,3E)-4-(1-ethylquinolin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline iodide

Systemtic Name: 4-[(1E,3E)-4-(1-ethylquinolin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline iodide Openeye Name: 4-[(1E,3E)-4-(1-ethylquinolin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline iodide CAS Name: 4-[(1E,3E)-4-(1-ethyl-4-quinolin-1-iumyl)buta-1,3-dienyl]-N,N-dimethylaniline iodide IUPAC Name: 4-[(1E,3E)-4-(1-ethylquinolin-1-ium-4-yl)buta-1,3-dienyl]-N,N-dimethylaniline iodide Traditional Name: [4-[(1E,3E)-4-(1-ethylquinolin-1-ium-4-yl)buta-1,3-dienyl]phenyl]-dimethyl-amine iodide Formula: C23H25IN2 MolecularWeight: 456.36247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=C(C2=CC=CC=C21)C=CC=CC3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/C=C/C3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C23H25N2.HI/c1-4-25-18-17-20(22-11-7-8-12-23(22)25)10-6-5-9-19-13-15-21(16-14-19)24(2)3;/h5-18H,4H2,1-3H3;1H/q+1;/p-1