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

Systemtic Name: 4-nitro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenolate Traditional Name: 4-nitro-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3/c23-19-9-8-17(22(24)25)12-16(19)13-20-14-18(21-10-4-5-11-21)15-6-2-1-3-7-15/h1-3,6-9,12-13,18,23H,4-5,10-11,14H2/t18-/m0/s1