1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate

Systemtic Name: 1-(3,3-dimethyl-2-oxidanylidene-pentanoyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate Openeye Name: 1-(3,3-dimethyl-2-oxo-pentanoyl)-3-pentyl-1,5-diphenyl-piperidin-1-ium-2-carbothioate CAS Name: 1-(3,3-dimethyl-1,2-dioxopentyl)-3-pentyl-1,5-diphenyl-2-piperidin-1-iumcarbothioate IUPAC Name: 1-(3,3-dimethyl-2-oxopentanoyl)-3-pentyl-1,5-diphenylpiperidin-1-ium-2-carbothioate Traditional Name: 3-amyl-1-(2-keto-3,3-dimethyl-pentanoyl)-1,5-diphenyl-piperidin-1-ium-2-carbothioate Formula: C30H39NO3S MolecularWeight: 493.70056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO3S/c1-5-7-10-17-23-20-24(22-15-11-8-12-16-22)21-31(26(23)29(34)35,25-18-13-9-14-19-25)28(33)27(32)30(3,4)6-2/h8-9,11-16,18-19,23-24,26H,5-7,10,17,20-21H2,1-4H3