1,4-diphenylbut-3-yn-2-yl(trimethyl)azanium iodide

Systemtic Name: 1,4-diphenylbut-3-yn-2-yl(trimethyl)azanium iodide Openeye Name: (1-benzyl-3-phenyl-prop-2-ynyl)-trimethyl-ammonium iodide CAS Name: 1,4-diphenylbut-3-yn-2-yl(trimethyl)ammonium iodide IUPAC Name: 1,4-diphenylbut-3-yn-2-yl(trimethyl)azanium iodide Traditional Name: (1-benzyl-3-phenyl-prop-2-ynyl)-trimethyl-ammonium iodide Formula: C19H22IN MolecularWeight: 391.28915

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CC1=CC=CC=C1)C#CC2=CC=CC=C2.[I-]

Isomeric SMILES

C[N+](C)(C)C(CC1=CC=CC=C1)C#CC2=CC=CC=C2.[I-]

InChI

InChI=1S/C19H22N.HI/c1-20(2,3)19(16-18-12-8-5-9-13-18)15-14-17-10-6-4-7-11-17;/h4-13,19H,16H2,1-3H3;1H/q+1;/p-1