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

Systemtic Name: 1-dodecyl-1-(1-phenylethylsulfanyl)pyrrolidin-1-ium-2,5-dione Openeye Name: 1-dodecyl-1-(1-phenylethylsulfanyl)pyrrolidin-1-ium-2,5-dione CAS Name: 1-dodecyl-1-(1-phenylethylthio)pyrrolidin-1-ium-2,5-dione IUPAC Name: 1-dodecyl-1-(1-phenylethylsulfanyl)pyrrolidin-1-ium-2,5-dione Traditional Name: 1-lauryl-1-(1-phenylethylthio)pyrrolidin-1-ium-2,5-quinone Formula: C24H38NO2S+ MolecularWeight: 404.62902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38NO2S/c1-3-4-5-6-7-8-9-10-11-15-20-25(23(26)18-19-24(25)27)28-21(2)22-16-13-12-14-17-22/h12-14,16-17,21H,3-11,15,18-20H2,1-2H3/q+1