3-(1-methyl-1-octyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate

Systemtic Name: 3-(1-methyl-1-octyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate Openeye Name: 3-(1-methyl-1-octyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate CAS Name: 3-(1-methyl-1-octyl-2-pyrrolidin-1-iumyl)pyridine thiocyanate IUPAC Name: 3-(1-methyl-1-octylpyrrolidin-1-ium-2-yl)pyridine thiocyanate Traditional Name: 3-(1-methyl-1-octyl-pyrrolidin-1-ium-2-yl)pyridine thiocyanate Formula: C19H31N3S MolecularWeight: 333.53454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCCC1C2=CN=CC=C2)C.C(#N)[S-]

Isomeric SMILES

CCCCCCCC[N+]1(CCCC1C2=CN=CC=C2)C.C(#N)[S-]

InChI

InChI=1S/C18H31N2.CHNS/c1-3-4-5-6-7-8-14-20(2)15-10-12-18(20)17-11-9-13-19-16-17;2-1-3/h9,11,13,16,18H,3-8,10,12,14-15H2,1-2H3;3H/q+1;/p-1