N,N-dimethyl-4-[2-(2-methylisoquinolin-2-ium-6-yl)ethynyl]aniline iodide

Systemtic Name: N,N-dimethyl-4-[2-(2-methylisoquinolin-2-ium-6-yl)ethynyl]aniline iodide Openeye Name: N,N-dimethyl-4-[2-(2-methylisoquinolin-2-ium-6-yl)ethynyl]aniline iodide CAS Name: N,N-dimethyl-4-[2-(2-methyl-6-isoquinolin-2-iumyl)ethynyl]aniline iodide IUPAC Name: N,N-dimethyl-4-[2-(2-methylisoquinolin-2-ium-6-yl)ethynyl]aniline iodide Traditional Name: dimethyl-[4-[2-(2-methylisoquinolin-2-ium-6-yl)ethynyl]phenyl]amine iodide Formula: C20H19IN2 MolecularWeight: 414.28273

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)N(C)C.[I-]

Isomeric SMILES

C[N+]1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC=C(C=C3)N(C)C.[I-]

InChI

InChI=1S/C20H19N2.HI/c1-21(2)20-10-7-16(8-11-20)4-5-17-6-9-19-15-22(3)13-12-18(19)14-17;/h6-15H,1-3H3;1H/q+1;/p-1