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

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C19H19Cl2N3O3 MolecularWeight: 408.27846

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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=C3Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O3/c20-14-9-13(19(25)17(10-14)24(26)27)11-22-12-18(23-7-3-4-8-23)15-5-1-2-6-16(15)21/h1-2,5-6,9-11,18,25H,3-4,7-8,12H2/t18-/m0/s1