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

Systemtic Name: 12-[dimethyl-(phenylmethyl)azaniumyl]dodeca-2,10-diynyl-dimethyl-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[12-[benzyl(dimethyl)ammonio]dodeca-2,10-diynyl]-dimethyl-ammonium dichloride CAS Name: 12-[dimethyl-(phenylmethyl)ammonio]dodeca-2,10-diynyl-dimethyl-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[12-[benzyl(dimethyl)azaniumyl]dodeca-2,10-diynyl]-dimethylazanium dichloride Traditional Name: benzyl-[12-[benzyl(dimethyl)ammonio]dodeca-2,10-diynyl]-dimethyl-ammonium dichloride Formula: C30H42Cl2N2 MolecularWeight: 501.57388

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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.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2.2ClH/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;2*1H/q+2;;/p-2