1-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-[[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C12H16N3O4S+ MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C12H15N3O4S/c13-12(17)9-2-1-4-15(6-9)7-11(16)14-10-3-5-20(18,19)8-10/h1-2,4,6,10H,3,5,7-8H2,(H2-,13,14,16,17)/p+1/t10-/m0/s1