2-methylheptan-2-yl-[2-(2-methylheptan-2-ylazaniumyl)ethyl]azanium dithiocyanate

Systemtic Name: 2-methylheptan-2-yl-[2-(2-methylheptan-2-ylazaniumyl)ethyl]azanium dithiocyanate Openeye Name: 1,1-dimethylhexyl-[2-(1,1-dimethylhexylammonio)ethyl]ammonium dithiocyanate CAS Name: 2-methylheptan-2-yl-[2-(2-methylheptan-2-ylammonio)ethyl]ammonium dithiocyanate IUPAC Name: 2-methylheptan-2-yl-[2-(2-methylheptan-2-ylazaniumyl)ethyl]azanium dithiocyanate Traditional Name: 1,1-dimethylhexyl-[2-(1,1-dimethylhexylammonio)ethyl]ammonium dithiocyanate Formula: C20H42N4S2 MolecularWeight: 402.70428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)[NH2+]CC[NH2+]C(C)(C)CCCCC.C(#N)[S-].C(#N)[S-]

Isomeric SMILES

CCCCCC(C)(C)[NH2+]CC[NH2+]C(C)(C)CCCCC.C(#N)[S-].C(#N)[S-]

InChI

InChI=1S/C18H40N2.2CHNS/c1-7-9-11-13-17(3,4)19-15-16-20-18(5,6)14-12-10-8-2;2*2-1-3/h19-20H,7-16H2,1-6H3;2*3H