1-dodecyl-1-(1-phenylpropylsulfanyl)pyrrolidin-1-ium-2,5-dione

Systemtic Name: 1-dodecyl-1-(1-phenylpropylsulfanyl)pyrrolidin-1-ium-2,5-dione Openeye Name: 1-dodecyl-1-(1-phenylpropylsulfanyl)pyrrolidin-1-ium-2,5-dione CAS Name: 1-dodecyl-1-(1-phenylpropylthio)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-dodecyl-1-(1-phenylpropylsulfanyl)pyrrolidin-1-ium-2,5-dione Traditional Name: 1-lauryl-1-(1-phenylpropylthio)pyrrolidin-1-ium-2,5-quinone Formula: C25H40NO2S+ MolecularWeight: 418.6556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(C(=O)CCC1=O)SC(CC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC[N+]1(C(=O)CCC1=O)SC(CC)C2=CC=CC=C2

InChI

InChI=1S/C25H40NO2S/c1-3-5-6-7-8-9-10-11-12-16-21-26(24(27)19-20-25(26)28)29-23(4-2)22-17-14-13-15-18-22/h13-15,17-18,23H,3-12,16,19-21H2,1-2H3/q+1