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

Systemtic Name: 2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]iminomethyl]-4-nitro-phenolate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-27-18-6-4-5-15(12-18)19(22-9-2-3-10-22)14-21-13-16-11-17(23(25)26)7-8-20(16)24/h4-8,11-13,19,24H,2-3,9-10,14H2,1H3/t19-/m0/s1