[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 5-nitrofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl] 5-nitrofuran-2-carboxylate Openeye Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl] 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl] 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl] ester Formula: C18H20N3O6+ MolecularWeight: 374.3679

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6/c22-16(13-26-18(23)15-6-7-17(27-15)21(24)25)20-10-8-19(9-11-20)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1