1-butyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-3-oxidanylidene-imidazolidine-1,3-diium-4-carboxylate

Systemtic Name: 1-butyl-1-[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-3-oxidanylidene-imidazolidine-1,3-diium-4-carboxylate Openeye Name: 1-(3-benzoylsulfanyl-2-methyl-propanoyl)-1-butyl-3-oxo-imidazolidine-1,3-diium-4-carboxylate CAS Name: 1-[3-(benzoylthio)-2-methyl-1-oxopropyl]-1-butyl-3-oxo-4-imidazolidine-1,3-diiumcarboxylate IUPAC Name: 1-(3-benzoylsulfanyl-2-methylpropanoyl)-1-butyl-3-oxoimidazolidine-1,3-diium-4-carboxylate Traditional Name: 1-[3-(benzoylthio)-2-methyl-propanoyl]-1-butyl-3-keto-imidazolidine-1,3-diium-4-carboxylate Formula: C19H25N2O5S+ MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)C(C)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[N+]1(CC([N+](=O)C1)C(=O)[O-])C(=O)C(C)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N2O5S/c1-3-4-10-21(11-16(18(23)24)20(26)13-21)17(22)14(2)12-27-19(25)15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3/q+1