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

Systemtic Name: 1-cyclohexyl-2,4,6-triphenyl-pyridin-1-ium thiocyanate Openeye Name: 1-cyclohexyl-2,4,6-triphenyl-pyridin-1-ium thiocyanate CAS Name: 1-cyclohexyl-2,4,6-triphenylpyridin-1-ium thiocyanate IUPAC Name: 1-cyclohexyl-2,4,6-triphenylpyridin-1-ium thiocyanate Traditional Name: 1-cyclohexyl-2,4,6-triphenyl-pyridin-1-ium thiocyanate Formula: C30H28N2S MolecularWeight: 448.62172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(#N)[S-]

Isomeric SMILES

C1CCC(CC1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C(#N)[S-]

InChI

InChI=1S/C29H28N.CHNS/c1-5-13-23(14-6-1)26-21-28(24-15-7-2-8-16-24)30(27-19-11-4-12-20-27)29(22-26)25-17-9-3-10-18-25;2-1-3/h1-3,5-10,13-18,21-22,27H,4,11-12,19-20H2;3H/q+1;/p-1