4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-6-nitro-phenolate Formula: C13H20N3O4+ MolecularWeight: 282.3156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C(C[NH3+])[NH+]2CCCC2

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H](C[NH3+])[NH+]2CCCC2

InChI

InChI=1S/C13H19N3O4/c1-20-12-7-9(6-10(13(12)17)16(18)19)11(8-14)15-4-2-3-5-15/h6-7,11,17H,2-5,8,14H2,1H3/p+1/t11-/m0/s1