2-[dimethyl-(phenylmethyl)azaniumyl]ethyl-dimethyl-(phenylmethyl)azanium dithiocyanate

Systemtic Name: 2-[dimethyl-(phenylmethyl)azaniumyl]ethyl-dimethyl-(phenylmethyl)azanium dithiocyanate Openeye Name: benzyl-[2-[benzyl(dimethyl)ammonio]ethyl]-dimethyl-ammonium dithiocyanate CAS Name: 2-[dimethyl-(phenylmethyl)ammonio]ethyl-dimethyl-(phenylmethyl)ammonium dithiocyanate IUPAC Name: benzyl-[2-[benzyl(dimethyl)azaniumyl]ethyl]-dimethylazanium dithiocyanate Traditional Name: benzyl-[2-[benzyl(dimethyl)ammonio]ethyl]-dimethyl-ammonium dithiocyanate Formula: C22H30N4S2 MolecularWeight: 414.6304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2.2CHNS/c1-21(2,17-19-11-7-5-8-12-19)15-16-22(3,4)18-20-13-9-6-10-14-20;2*2-1-3/h5-14H,15-18H2,1-4H3;2*3H/q+2;;/p-2