[(2R,6R)-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl]azanium

Systemtic Name: [(2R,6R)-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-6-yl]azanium Openeye Name: [(2R,6R)-5-oxo-2-(2-thienyl)-1,4-thiazepan-6-yl]ammonium CAS Name: [(2R,6R)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]ammonium IUPAC Name: [(2R,6R)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-6-yl]azanium Traditional Name: [(2R,6R)-5-keto-2-(2-thienyl)-1,4-thiazepan-6-yl]ammonium Formula: C9H13N2OS2+ MolecularWeight: 229.34232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(C(=O)N1)[NH3+])C2=CC=CS2

Isomeric SMILES

C1[C@@H](SC[C@@H](C(=O)N1)[NH3+])C2=CC=CS2

InChI

InChI=1S/C9H12N2OS2/c10-6-5-14-8(4-11-9(6)12)7-2-1-3-13-7/h1-3,6,8H,4-5,10H2,(H,11,12)/p+1/t6-,8+/m0/s1