1-butan-2-yl-2,4,6-triphenyl-pyridin-1-ium thiocyanate

Systemtic Name: 1-butan-2-yl-2,4,6-triphenyl-pyridin-1-ium thiocyanate Openeye Name: 2,4,6-triphenyl-1-sec-butyl-pyridin-1-ium thiocyanate CAS Name: 1-butan-2-yl-2,4,6-triphenylpyridin-1-ium thiocyanate IUPAC Name: 1-butan-2-yl-2,4,6-triphenylpyridin-1-ium thiocyanate Traditional Name: 2,4,6-triphenyl-1-sec-butyl-pyridin-1-ium thiocyanate Formula: C28H26N2S MolecularWeight: 422.58444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N.CHNS/c1-3-21(2)28-26(23-15-9-5-10-16-23)19-25(22-13-7-4-8-14-22)20-27(28)24-17-11-6-12-18-24;2-1-3/h4-21H,3H2,1-2H3;3H/q+1;/p-1