2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 2-(3-phenylprop-2-ynyl)-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C18H18ClN MolecularWeight: 283.79522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC#CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC#CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H17N.ClH/c1-2-7-16(8-3-1)9-6-13-19-14-12-17-10-4-5-11-18(17)15-19;/h1-5,7-8,10-11H,12-15H2;1H