[(2S)-3-(1-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

Systemtic Name: [(2S)-3-(1-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]-trimethyl-azanium Openeye Name: [(1S)-1-[(1-ethoxycarbonyl-2-ethoxycarbonylsulfanyl-imidazol-4-yl)methyl]-2-methoxy-2-oxo-ethyl]-trimethyl-ammonium CAS Name: [(2S)-3-[1-ethoxycarbonyl-2-(ethoxycarbonylthio)-4-imidazolyl]-1-methoxy-1-oxopropan-2-yl]-trimethylammonium IUPAC Name: [(2S)-3-(1-ethoxycarbonyl-2-ethoxycarbonylsulfanylimidazol-4-yl)-1-methoxy-1-oxopropan-2-yl]-trimethylazanium Traditional Name: [(1S)-1-[[1-carbethoxy-2-(carbethoxythio)imidazol-4-yl]methyl]-2-keto-2-methoxy-ethyl]-trimethyl-ammonium Formula: C16H26N3O6S+ MolecularWeight: 388.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(N=C1SC(=O)OCC)CC(C(=O)OC)[N+](C)(C)C

Isomeric SMILES

CCOC(=O)N1C=C(N=C1SC(=O)OCC)C[C@@H](C(=O)OC)[N+](C)(C)C

InChI

InChI=1S/C16H26N3O6S/c1-7-24-15(21)18-10-11(17-14(18)26-16(22)25-8-2)9-12(13(20)23-6)19(3,4)5/h10,12H,7-9H2,1-6H3/q+1/t12-/m0/s1