2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]iminomethyl]-4-nitro-phenolate Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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