1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-[(3-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-(3-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)15-4-1-3-14(11-15)12-17-6-8-18(9-7-17)13-16-5-2-10-22-16/h1-5,10-11H,6-9,12-13H2/p+2