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

Systemtic Name: 4-nitro-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]phenolate Openeye Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate CAS Name: 4-nitro-2-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]phenolate IUPAC Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-nitrophenolate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-4-nitro-phenolate Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c23-19-7-6-18(22(24)25)12-16(19)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12-13,17,23H,8-11,14H2