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12-[dimethyl-(phenylmethyl)azaniumyl]dodecyl-dimethyl-(phenylmethyl)azanium dichloride

12-[dimethyl-(phenylmethyl)azaniumyl]dodecyl-dimethyl-(phenylmethyl)azanium dichloride

Systemtic Name:12-[dimethyl-(phenylmethyl)azaniumyl]dodecyl-dimethyl-(phenylmethyl)azanium dichloride
Openeye Name:benzyl-[12-[benzyl(dimethyl)ammonio]dodecyl]-dimethyl-ammonium dichloride
CAS Name:12-[dimethyl-(phenylmethyl)ammonio]dodecyl-dimethyl-(phenylmethyl)ammonium dichloride
IUPAC Name:benzyl-[12-[benzyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium dichloride
Traditional Name:benzyl-[12-[benzyl(dimethyl)ammonio]dodecyl]-dimethyl-ammonium dichloride
Formula: C30H50Cl2N2
MolecularWeight: 509.6374
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C30H50N2.2ClH/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,5-12,19-20,25-28H2,1-4H3;2*1H/q+2;;/p-2


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