N-[(E)-2-(1-butylquinolin-1-ium-4-yl)ethenyl]-N-phenyl-ethanamide iodide

Systemtic Name: N-[(E)-2-(1-butylquinolin-1-ium-4-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(1-butylquinolin-1-ium-4-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(1-butyl-4-quinolin-1-iumyl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(1-butylquinolin-1-ium-4-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(1-butylquinolin-1-ium-4-yl)vinyl]-N-phenyl-acetamide iodide Formula: C23H25IN2O MolecularWeight: 472.36187

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N2O.HI/c1-3-4-16-24-17-14-20(22-12-8-9-13-23(22)24)15-18-25(19(2)26)21-10-6-5-7-11-21;/h5-15,17-18H,3-4,16H2,1-2H3;1H/q+1;/p-1