dibutyl-(4-oxidanylbut-2-ynyl)-(3-phenylprop-2-ynyl)azanium bromide

Systemtic Name: dibutyl-(4-oxidanylbut-2-ynyl)-(3-phenylprop-2-ynyl)azanium bromide Openeye Name: dibutyl-(4-hydroxybut-2-ynyl)-(3-phenylprop-2-ynyl)ammonium bromide CAS Name: dibutyl-(4-hydroxybut-2-ynyl)-(3-phenylprop-2-ynyl)ammonium bromide IUPAC Name: dibutyl-(4-hydroxybut-2-ynyl)-(3-phenylprop-2-ynyl)azanium bromide Traditional Name: dibutyl-(4-hydroxybut-2-ynyl)-(3-phenylprop-2-ynyl)ammonium bromide Formula: C21H30BrNO MolecularWeight: 392.373

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CC#CCO)CC#CC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCC[N+](CCCC)(CC#CCO)CC#CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C21H30NO.BrH/c1-3-5-16-22(17-6-4-2,18-10-11-20-23)19-12-15-21-13-8-7-9-14-21;/h7-9,13-14,23H,3-6,16-20H2,1-2H3;1H/q+1;/p-1