1-(2-phenylethynyl)isoquinoline dihydrochloride

Systemtic Name: 1-(2-phenylethynyl)isoquinoline dihydrochloride Openeye Name: 1-(2-phenylethynyl)isoquinoline dihydrochloride CAS Name: 1-(2-phenylethynyl)isoquinoline dihydrochloride IUPAC Name: 1-(2-phenylethynyl)isoquinoline dihydrochloride Traditional Name: 1-(2-phenylethynyl)isoquinoline dihydrochloride Formula: C17H13Cl2N MolecularWeight: 302.19782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC=CC3=CC=CC=C32.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC=CC3=CC=CC=C32.Cl.Cl

InChI

InChI=1S/C17H11N.2ClH/c1-2-6-14(7-3-1)10-11-17-16-9-5-4-8-15(16)12-13-18-17;;/h1-9,12-13H;2*1H