N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C15H21N4O5S+ MolecularWeight: 369.41604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCS(=O)(=O)C2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1NC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O5S/c20-15(17-12-5-8-25(23,24)10-12)11-3-6-18(7-4-11)14-2-1-13(9-16-14)19(21)22/h1-2,9,11-12H,3-8,10H2,(H,17,20)/p+1/t12-/m0/s1