2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(2-furylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-(2-furanylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(furan-2-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(2-furfuryl)piperazine-1,4-diium-1-yl]-N-(2-methyl-6-nitro-phenyl)acetamide Formula: C18H24N4O4+2 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H22N4O4/c1-14-4-2-6-16(22(24)25)18(14)19-17(23)13-21-9-7-20(8-10-21)12-15-5-3-11-26-15/h2-6,11H,7-10,12-13H2,1H3,(H,19,23)/p+2