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

Systemtic Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one Openeye Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-pyridin-2-one CAS Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-5-nitro-2-pyridinone IUPAC Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitropyridin-2-one Traditional Name: 1-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-5-nitro-2-pyridone Formula: C18H22N3O5+ MolecularWeight: 360.38438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-25-14-6-7-17(26-2)15(10-14)16-4-3-9-19(16)12-20-11-13(21(23)24)5-8-18(20)22/h5-8,10-11,16H,3-4,9,12H2,1-2H3/p+1/t16-/m1/s1