4-chloranyl-2-nitro-6-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]iminomethyl]phenolate Openeye Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]iminomethyl]phenolate IUPAC Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3/c19-15-8-14(18(23)17(9-15)22(24)25)10-20-16-6-7-21(12-16)11-13-4-2-1-3-5-13/h1-5,8-10,16,23H,6-7,11-12H2/t16-/m1/s1