3-[methyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile iodide

Systemtic Name: 3-[methyl-[4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl]amino]propanenitrile iodide Openeye Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]anilino]propanenitrile iodide CAS Name: 3-[N-methyl-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]anilino]propanenitrile iodide IUPAC Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]anilino]propanenitrile iodide Traditional Name: 3-[N-methyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]anilino]propionitrile iodide Formula: C22H22IN3 MolecularWeight: 455.33465

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)CCC#N.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)CCC#N.[I-]

InChI

InChI=1S/C22H22N3.HI/c1-24(17-5-16-23)20-12-8-18(9-13-20)10-14-21-15-11-19-6-3-4-7-22(19)25(21)2;/h3-4,6-15H,5,17H2,1-2H3;1H/q+1;/p-1