N-[(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)ethenyl]aniline chloride

Systemtic Name: N-[(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)ethenyl]aniline chloride Openeye Name: N-[(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)vinyl]aniline chloride CAS Name: N-[(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)ethenyl]aniline chloride IUPAC Name: N-[(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)ethenyl]aniline chloride Traditional Name: [(E)-2-(3,4-dihydroisoquinolin-2-ium-1-yl)vinyl]-phenyl-amine chloride Formula: C17H17ClN2 MolecularWeight: 284.78328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(C2=CC=CC=C21)C=CNC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+]=C(C2=CC=CC=C21)/C=C/NC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H16N2.ClH/c1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19-17;/h1-9,11,13,18H,10,12H2;1H/b13-11+;