N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-methyl-3-pyrazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-methyl-pyrazol-3-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C15H25N4O3S+ MolecularWeight: 341.449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCCCC2)[C@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C15H24N4O3S/c1-12-9-14(16-15(20)10-18-6-3-2-4-7-18)19(17-12)13-5-8-23(21,22)11-13/h9,13H,2-8,10-11H2,1H3,(H,16,20)/p+1/t13-/m0/s1