1-methyl-3-octyl-imidazol-1-ium thiocyanate

Systemtic Name: 1-methyl-3-octyl-imidazol-1-ium thiocyanate Openeye Name: 1-methyl-3-octyl-imidazol-1-ium thiocyanate CAS Name: 1-methyl-3-octylimidazol-1-ium thiocyanate IUPAC Name: 1-methyl-3-octylimidazol-1-ium thiocyanate Traditional Name: 1-methyl-3-octyl-imidazol-1-ium thiocyanate Formula: C13H23N3S MolecularWeight: 253.40682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)C.C(#N)[S-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)C.C(#N)[S-]

InChI

InChI=1S/C12H23N2.CHNS/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1-3/h10-12H,3-9H2,1-2H3;3H/q+1;/p-1