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

Systemtic Name: N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-N-phenyl-ethanamide iodide Openeye Name: N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-N-phenyl-acetamide iodide CAS Name: N-[(E)-2-(1-ethyl-4-quinolin-1-iumyl)ethenyl]-N-phenylacetamide iodide IUPAC Name: N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-N-phenylacetamide iodide Traditional Name: N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)vinyl]-N-phenyl-acetamide iodide Formula: C21H21IN2O MolecularWeight: 444.30871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N2O.HI/c1-3-22-15-13-18(20-11-7-8-12-21(20)22)14-16-23(17(2)24)19-9-5-4-6-10-19;/h4-16H,3H2,1-2H3;1H/q+1;/p-1