3-[4-[3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)azanium dibromide

Systemtic Name: 3-[4-[3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)azanium dibromide Openeye Name: 3-[4-[3-[diethyl(3-phenylprop-2-ynyl)ammonio]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)ammonium dibromide CAS Name: 3-[4-[3-[diethyl(3-phenylprop-2-ynyl)ammonio]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)ammonium dibromide IUPAC Name: 3-[4-[3-[diethyl(3-phenylprop-2-ynyl)azaniumyl]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)azanium dibromide Traditional Name: 3-[4-[3-[diethyl(3-phenylprop-2-ynyl)ammonio]prop-1-ynyl]phenyl]prop-2-ynyl-diethyl-(3-phenylprop-2-ynyl)ammonium dibromide Formula: C38H42Br2N2 MolecularWeight: 686.56148

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#CC1=CC=CC=C1)CC#CC2=CC=C(C=C2)C#CC[N+](CC)(CC)CC#CC3=CC=CC=C3.[Br-].[Br-]

Isomeric SMILES

CC[N+](CC)(CC#CC1=CC=CC=C1)CC#CC2=CC=C(C=C2)C#CC[N+](CC)(CC)CC#CC3=CC=CC=C3.[Br-].[Br-]

InChI

InChI=1S/C38H42N2.2BrH/c1-5-39(6-2,31-15-23-35-19-11-9-12-20-35)33-17-25-37-27-29-38(30-28-37)26-18-34-40(7-3,8-4)32-16-24-36-21-13-10-14-22-36;;/h9-14,19-22,27-30H,5-8,31-34H2,1-4H3;2*1H/q+2;;/p-2