5-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one

Systemtic Name: 5-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one Openeye Name: 5-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]pyridin-2-one CAS Name: 5-nitro-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-2-pyridinone IUPAC Name: 5-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]pyridin-2-one Traditional Name: 5-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-2-pyridone Formula: C14H16N3O3S+ MolecularWeight: 306.36014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C14H15N3O3S/c18-14-6-5-11(17(19)20)9-16(14)10-15-7-1-3-12(15)13-4-2-8-21-13/h2,4-6,8-9,12H,1,3,7,10H2/p+1/t12-/m1/s1