2,4,6-triphenyl-1-propyl-pyridin-1-ium thiocyanate

Systemtic Name: 2,4,6-triphenyl-1-propyl-pyridin-1-ium thiocyanate Openeye Name: 2,4,6-triphenyl-1-propyl-pyridin-1-ium thiocyanate CAS Name: 2,4,6-triphenyl-1-propylpyridin-1-ium thiocyanate IUPAC Name: 2,4,6-triphenyl-1-propylpyridin-1-ium thiocyanate Traditional Name: 2,4,6-triphenyl-1-propyl-pyridin-1-ium thiocyanate Formula: C27H24N2S MolecularWeight: 408.55786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-]

Isomeric SMILES

CCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(#N)[S-]

InChI

InChI=1S/C26H24N.CHNS/c1-2-18-27-25(22-14-8-4-9-15-22)19-24(21-12-6-3-7-13-21)20-26(27)23-16-10-5-11-17-23;2-1-3/h3-17,19-20H,2,18H2,1H3;3H/q+1;/p-1