methyl-(phenylmethyl)-(3-phenylprop-2-ynyl)-prop-2-ynyl-azanium bromide

Systemtic Name: methyl-(phenylmethyl)-(3-phenylprop-2-ynyl)-prop-2-ynyl-azanium bromide Openeye Name: benzyl-methyl-(3-phenylprop-2-ynyl)-prop-2-ynyl-ammonium bromide CAS Name: methyl-(phenylmethyl)-(3-phenylprop-2-ynyl)-prop-2-ynylammonium bromide IUPAC Name: benzyl-methyl-(3-phenylprop-2-ynyl)-prop-2-ynylazanium bromide Traditional Name: benzyl-methyl-(3-phenylprop-2-ynyl)-propargyl-ammonium bromide Formula: C20H20BrN MolecularWeight: 354.2835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N.BrH/c1-3-16-21(2,18-20-13-8-5-9-14-20)17-10-15-19-11-6-4-7-12-19;/h1,4-9,11-14H,16-18H2,2H3;1H/q+1;/p-1