(5-nitrofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-nitrofuran-2-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(5-nitro-2-furyl)methanone CAS Name: (5-nitro-2-furanyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(5-nitrofuran-2-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(5-nitro-2-furyl)methanone Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c20-16(14-6-7-15(23-14)19(21)22)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h1-7H,8-12H2/p+1