12-[dimethyl-(phenylmethyl)azaniumyl]dodeca-2,10-diynyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 12-[dimethyl-(phenylmethyl)azaniumyl]dodeca-2,10-diynyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[12-[benzyl(dimethyl)ammonio]dodeca-2,10-diynyl]-dimethyl-ammonium CAS Name: 12-[dimethyl-(phenylmethyl)ammonio]dodeca-2,10-diynyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[12-[benzyl(dimethyl)azaniumyl]dodeca-2,10-diynyl]-dimethylazanium Traditional Name: benzyl-[12-[benzyl(dimethyl)ammonio]dodeca-2,10-diynyl]-dimethyl-ammonium Formula: C30H42N2+2 MolecularWeight: 430.66788

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC#CCCCCCCC#CC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(CC#CCCCCCCC#CC[N+](C)(C)CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C30H42N2/c1-31(2,27-29-21-15-13-16-22-29)25-19-11-9-7-5-6-8-10-12-20-26-32(3,4)28-30-23-17-14-18-24-30/h13-18,21-24H,5-10,25-28H2,1-4H3/q+2