1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-(2-nitrobenzyl)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[N+](=O)[O-])CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])CC3=CC=CO3

InChI

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