4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzoate

Systemtic Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]benzoate Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c22-18(23)15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(8-6-16)21(24)25/h1-8H,9-13H2,(H,22,23)