iodanylmethyl-dimethyl-(4-phenylbut-3-ynyl)azanium iodide

Systemtic Name: iodanylmethyl-dimethyl-(4-phenylbut-3-ynyl)azanium iodide Openeye Name: iodomethyl-dimethyl-(4-phenylbut-3-ynyl)ammonium iodide CAS Name: iodomethyl-dimethyl-(4-phenylbut-3-ynyl)ammonium iodide IUPAC Name: iodomethyl-dimethyl-(4-phenylbut-3-ynyl)azanium iodide Traditional Name: iodomethyl-dimethyl-(4-phenylbut-3-ynyl)ammonium iodide Formula: C13H17I2N MolecularWeight: 441.08972

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC#CC1=CC=CC=C1)CI.[I-]

Isomeric SMILES

C[N+](C)(CCC#CC1=CC=CC=C1)CI.[I-]

InChI

InChI=1S/C13H17IN.HI/c1-15(2,12-14)11-7-6-10-13-8-4-3-5-9-13;/h3-5,8-9H,7,11-12H2,1-2H3;1H/q+1;/p-1