[azanyl-[[4-ethoxycarbonyl-4-(3-methylbutyl)-5-oxidanylidene-oxolan-2-yl]methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[[4-ethoxycarbonyl-4-(3-methylbutyl)-5-oxidanylidene-oxolan-2-yl]methylsulfanyl]methylidene]azanium Openeye Name: [amino-[(4-ethoxycarbonyl-4-isopentyl-5-oxo-tetrahydrofuran-2-yl)methylsulfanyl]methylene]ammonium CAS Name: [amino-[[4-ethoxycarbonyl-4-(3-methylbutyl)-5-oxo-2-oxolanyl]methylthio]methylidene]ammonium IUPAC Name: [amino-[[4-ethoxycarbonyl-4-(3-methylbutyl)-5-oxooxolan-2-yl]methylsulfanyl]methylidene]azanium Traditional Name: [amino-[(4-carbethoxy-4-isoamyl-5-keto-tetrahydrofuran-2-yl)methylthio]methylene]ammonium Formula: C14H25N2O4S+ MolecularWeight: 317.4243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(OC1=O)CSC(=[NH2+])N)CCC(C)C

Isomeric SMILES

CCOC(=O)C1(CC(OC1=O)CSC(=[NH2+])N)CCC(C)C

InChI

InChI=1S/C14H24N2O4S/c1-4-19-11(17)14(6-5-9(2)3)7-10(20-12(14)18)8-21-13(15)16/h9-10H,4-8H2,1-3H3,(H3,15,16)/p+1