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

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-28-19-7-3-2-6-16(19)18(23-8-4-5-9-23)13-22-12-14-10-15(21)11-17(20(14)25)24(26)27/h2-3,6-7,10-12,18,25H,4-5,8-9,13H2,1H3/t18-/m0/s1