dimethyl-prop-2-enoxycarbonyl-[2-(4-sulfanylpyrrolidin-2-yl)prop-2-enoyl]azanium

Systemtic Name: dimethyl-prop-2-enoxycarbonyl-[2-(4-sulfanylpyrrolidin-2-yl)prop-2-enoyl]azanium Openeye Name: allyloxycarbonyl-dimethyl-[2-(4-sulfanylpyrrolidin-2-yl)prop-2-enoyl]ammonium CAS Name: [2-(4-mercapto-2-pyrrolidinyl)-1-oxoprop-2-enyl]-dimethyl-[oxo(prop-2-enoxy)methyl]ammonium IUPAC Name: dimethyl-prop-2-enoxycarbonyl-[2-(4-sulfanylpyrrolidin-2-yl)prop-2-enoyl]azanium Traditional Name: allyloxycarbonyl-[2-(4-mercaptopyrrolidin-2-yl)acryloyl]-dimethyl-ammonium Formula: C13H21N2O3S+ MolecularWeight: 285.38244

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C(=O)C(=C)C1CC(CN1)S)C(=O)OCC=C

Isomeric SMILES

C[N+](C)(C(=O)C(=C)C1CC(CN1)S)C(=O)OCC=C

InChI

InChI=1S/C13H20N2O3S/c1-5-6-18-13(17)15(3,4)12(16)9(2)11-7-10(19)8-14-11/h5,10-11,14H,1-2,6-8H2,3-4H3/p+1