1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CN2C=C(C=CC2=O)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N4O3S/c22-16-8-7-12(21(23)24)10-20(16)11-19-9-3-5-14(19)17-18-13-4-1-2-6-15(13)25-17/h1-2,4,6-8,10,14H,3,5,9,11H2/p+1/t14-/m1/s1