4-nitro-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Openeye Name: 4-nitro-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate CAS Name: 4-nitro-2-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyliminomethyl]phenolate IUPAC Name: 4-nitro-2-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyliminomethyl]phenolate Traditional Name: 4-nitro-2-[[2-(piperidin-1-ium-1-ylmethyl)benzyl]iminomethyl]phenolate Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H23N3O3/c24-20-9-8-19(23(25)26)12-18(20)14-21-13-16-6-2-3-7-17(16)15-22-10-4-1-5-11-22/h2-3,6-9,12,14,24H,1,4-5,10-11,13,15H2