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

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

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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=C3Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC=C3Cl

InChI

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