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

Systemtic Name: 4-chloranyl-2-nitro-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]phenolate Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O3/c20-16-10-15(19(24)17(11-16)23(25)26)12-21-13-18(22-8-4-5-9-22)14-6-2-1-3-7-14/h1-3,6-7,10-12,18,24H,4-5,8-9,13H2/t18-/m0/s1