4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate

Systemtic Name: 4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Openeye Name: 4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate CAS Name: 4-nitro-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenolate IUPAC Name: 4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Traditional Name: 4-nitro-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenolate Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[O-])[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)[O-])[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O3/c21-16-6-7-17(20(22)23)14(12-16)13-18-8-10-19(11-9-18)15-4-2-1-3-5-15/h1-7,12,21H,8-11,13H2