dimethyl-[3-[(2S)-2-(4-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl]azanium

Systemtic Name: dimethyl-[3-[(2S)-2-(4-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl]azanium Openeye Name: dimethyl-[3-[(2S)-2-(4-nitrophenyl)-4-oxo-thiazolidin-3-yl]propyl]ammonium CAS Name: dimethyl-[3-[(2S)-2-(4-nitrophenyl)-4-oxo-3-thiazolidinyl]propyl]ammonium IUPAC Name: dimethyl-[3-[(2S)-2-(4-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]azanium Traditional Name: 3-[(2S)-4-keto-2-(4-nitrophenyl)thiazolidin-3-yl]propyl-dimethyl-ammonium Formula: C14H20N3O3S+ MolecularWeight: 310.3919

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(SCC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](SCC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O3S/c1-15(2)8-3-9-16-13(18)10-21-14(16)11-4-6-12(7-5-11)17(19)20/h4-7,14H,3,8-10H2,1-2H3/p+1/t14-/m0/s1