1-[(5-nitrofuran-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(5-nitrofuran-2-yl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(5-nitro-2-furyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-nitro-2-furanyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(5-nitrofuran-2-yl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[(5-nitro-2-furyl)methyl]piperazine-1,4-diium Formula: C16H21N3O3+2 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c20-19(21)16-7-6-15(22-16)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+2