1-(1,4-diphenylbut-3-yn-2-yl)-1-methyl-piperidin-1-ium iodide

Systemtic Name: 1-(1,4-diphenylbut-3-yn-2-yl)-1-methyl-piperidin-1-ium iodide Openeye Name: 1-(1-benzyl-3-phenyl-prop-2-ynyl)-1-methyl-piperidin-1-ium iodide CAS Name: 1-(1,4-diphenylbut-3-yn-2-yl)-1-methylpiperidin-1-ium iodide IUPAC Name: 1-(1,4-diphenylbut-3-yn-2-yl)-1-methylpiperidin-1-ium iodide Traditional Name: 1-(1-benzyl-3-phenyl-prop-2-ynyl)-1-methyl-piperidin-1-ium iodide Formula: C22H26IN MolecularWeight: 431.35301

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(CC2=CC=CC=C2)C#CC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)C(CC2=CC=CC=C2)C#CC3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H26N.HI/c1-23(17-9-4-10-18-23)22(19-21-13-7-3-8-14-21)16-15-20-11-5-2-6-12-20;/h2-3,5-8,11-14,22H,4,9-10,17-19H2,1H3;1H/q+1;/p-1