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

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]iminomethyl]-6-nitro-phenolate Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)[NH+]3CCCCC3

InChI

InChI=1S/C21H24ClN3O4/c1-29-18-7-5-15(6-8-18)20(24-9-3-2-4-10-24)14-23-13-16-11-17(22)12-19(21(16)26)25(27)28/h5-8,11-13,20,26H,2-4,9-10,14H2,1H3/t20-/m0/s1