1-(2-oxidanylidene-2-phenyl-ethanoyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate

Systemtic Name: 1-(2-oxidanylidene-2-phenyl-ethanoyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate Openeye Name: 1-(2-oxo-2-phenyl-acetyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate CAS Name: 1-(1,2-dioxo-2-phenylethyl)-3-pentyl-1,5-diphenyl-2-piperidin-1-iumcarbothioate IUPAC Name: 1-(2-oxo-2-phenylacetyl)-3-pentyl-1,5-diphenylpiperidin-1-ium-2-carbothioate Traditional Name: 3-amyl-1-(2-keto-2-phenyl-acetyl)-1,5-diphenyl-piperidin-1-ium-2-carbothioate Formula: C31H33NO3S MolecularWeight: 499.66362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(C[N+](C1C(=S)[O-])(C2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1CC(C[N+](C1C(=S)[O-])(C2=CC=CC=C2)C(=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H33NO3S/c1-2-3-7-18-25-21-26(23-14-8-4-9-15-23)22-32(28(25)31(35)36,27-19-12-6-13-20-27)30(34)29(33)24-16-10-5-11-17-24/h4-6,8-17,19-20,25-26,28H,2-3,7,18,21-22H2,1H3