4-nitro-2-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]iminomethyl]phenolate Openeye Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]iminomethyl]phenolate IUPAC Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-nitro-phenolate Formula: C18H19N3O3 MolecularWeight: 325.36176

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c22-18-7-6-17(21(23)24)10-15(18)11-19-16-8-9-20(13-16)12-14-4-2-1-3-5-14/h1-7,10-11,16,22H,8-9,12-13H2/t16-/m1/s1