[azanyl-[(4-ethoxycarbonyl-5-oxidanylidene-4-propyl-oxolan-2-yl)methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[(4-ethoxycarbonyl-5-oxidanylidene-4-propyl-oxolan-2-yl)methylsulfanyl]methylidene]azanium Openeye Name: [amino-[(4-ethoxycarbonyl-5-oxo-4-propyl-tetrahydrofuran-2-yl)methylsulfanyl]methylene]ammonium CAS Name: [amino-[(4-ethoxycarbonyl-5-oxo-4-propyl-2-oxolanyl)methylthio]methylidene]ammonium IUPAC Name: [amino-[(4-ethoxycarbonyl-5-oxo-4-propyloxolan-2-yl)methylsulfanyl]methylidene]azanium Traditional Name: [amino-[(4-carbethoxy-5-keto-4-propyl-tetrahydrofuran-2-yl)methylthio]methylene]ammonium Formula: C12H21N2O4S+ MolecularWeight: 289.37114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(OC1=O)CSC(=[NH2+])N)C(=O)OCC

Isomeric SMILES

CCCC1(CC(OC1=O)CSC(=[NH2+])N)C(=O)OCC

InChI

InChI=1S/C12H20N2O4S/c1-3-5-12(9(15)17-4-2)6-8(18-10(12)16)7-19-11(13)14/h8H,3-7H2,1-2H3,(H3,13,14)/p+1