1-[4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(5-nitro-2-furyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(5-nitro-2-furanyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(5-nitro-2-furyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4/c1-13(21)14-2-4-15(5-3-14)19-10-8-18(9-11-19)12-16-6-7-17(24-16)20(22)23/h2-7H,8-12H2,1H3/p+1