dimethyl-[3-(4-methylphenyl)prop-2-ynyl]-(3-phenylprop-2-ynyl)azanium bromide

Systemtic Name: dimethyl-[3-(4-methylphenyl)prop-2-ynyl]-(3-phenylprop-2-ynyl)azanium bromide Openeye Name: dimethyl-(3-phenylprop-2-ynyl)-[3-(p-tolyl)prop-2-ynyl]ammonium bromide CAS Name: dimethyl-[3-(4-methylphenyl)prop-2-ynyl]-(3-phenylprop-2-ynyl)ammonium bromide IUPAC Name: dimethyl-[3-(4-methylphenyl)prop-2-ynyl]-(3-phenylprop-2-ynyl)azanium bromide Traditional Name: dimethyl-(3-phenylprop-2-ynyl)-[3-(p-tolyl)prop-2-ynyl]ammonium bromide Formula: C21H22BrN MolecularWeight: 368.31008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N.BrH/c1-19-13-15-21(16-14-19)12-8-18-22(2,3)17-7-11-20-9-5-4-6-10-20;/h4-6,9-10,13-16H,17-18H2,1-3H3;1H/q+1;/p-1