diethyl-[3-[(2R,5S)-5-methyl-2-(2-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl]azanium

Systemtic Name: diethyl-[3-[(2R,5S)-5-methyl-2-(2-nitrophenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]propyl]azanium Openeye Name: diethyl-[3-[(2R,5S)-5-methyl-2-(2-nitrophenyl)-4-oxo-thiazolidin-3-yl]propyl]ammonium CAS Name: diethyl-[3-[(2R,5S)-5-methyl-2-(2-nitrophenyl)-4-oxo-3-thiazolidinyl]propyl]ammonium IUPAC Name: diethyl-[3-[(2R,5S)-5-methyl-2-(2-nitrophenyl)-4-oxo-1,3-thiazolidin-3-yl]propyl]azanium Traditional Name: diethyl-[3-[(2R,5S)-4-keto-5-methyl-2-(2-nitrophenyl)thiazolidin-3-yl]propyl]ammonium Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(SC(C1=O)C)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN1[C@H](S[C@H](C1=O)C)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O3S/c1-4-18(5-2)11-8-12-19-16(21)13(3)24-17(19)14-9-6-7-10-15(14)20(22)23/h6-7,9-10,13,17H,4-5,8,11-12H2,1-3H3/p+1/t13-,17+/m0/s1