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

Systemtic Name: 4-chloranyl-2-nitro-6-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]phenolate Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]phenolate IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-chloro-6-nitro-phenolate Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3O3/c20-16-10-15(19(24)18(11-16)23(25)26)12-21-17-6-8-22(9-7-17)13-14-4-2-1-3-5-14/h1-5,10-12,17,24H,6-9,13H2