1-butyl-3-methyl-imidazol-3-ium thiocyanate

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium thiocyanate Openeye Name: 1-butyl-3-methyl-imidazol-3-ium thiocyanate CAS Name: 1-butyl-3-methylimidazol-3-ium thiocyanate IUPAC Name: 1-butyl-3-methylimidazol-3-ium thiocyanate Traditional Name: 1-butyl-3-methyl-imidazol-3-ium thiocyanate Formula: C9H15N3S MolecularWeight: 197.3005

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.C(#N)[S-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.C(#N)[S-]

InChI

InChI=1S/C8H15N2.CHNS/c1-3-4-5-10-7-6-9(2)8-10;2-1-3/h6-8H,3-5H2,1-2H3;3H/q+1;/p-1