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

Systemtic Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-2-nitrophenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-2-nitrophenolate Traditional Name: 4-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-phenolate Formula: C12H18N3O3+ MolecularWeight: 252.28962

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[NH3+])C2=CC(=C(C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O3/c13-8-11(14-5-1-2-6-14)9-3-4-12(16)10(7-9)15(17)18/h3-4,7,11,16H,1-2,5-6,8,13H2/p+1/t11-/m0/s1