4-chloranyl-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(3-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(=C1)C(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/c1-28-17-6-4-5-14(10-17)19(23-7-2-3-8-23)13-22-12-15-9-16(21)11-18(20(15)25)24(26)27/h4-6,9-12,19,25H,2-3,7-8,13H2,1H3/t19-/m0/s1