1-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione

Systemtic Name: 1-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Openeye Name: 1-[[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione CAS Name: 1-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazin-1-iumyl]methyl]pyrrolidine-2,5-dione IUPAC Name: 1-[[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Traditional Name: 1-[[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-quinone Formula: C20H24N5O5+ MolecularWeight: 414.43506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

C1CC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C20H23N5O5/c26-19-5-6-20(27)24(19)14-22-7-9-23(10-8-22)15-3-4-18(25(28)29)17(12-15)21-13-16-2-1-11-30-16/h1-4,11-12,21H,5-10,13-14H2/p+1