2-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione CAS Name: 2-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazin-1-iumyl]methyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]-1H-pyridazine-3,6-quinone Formula: C20H23N6O5+ MolecularWeight: 427.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C=CC(=O)N2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C=CC(=O)N2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4

InChI

InChI=1S/C20H22N6O5/c27-19-5-6-20(28)25(22-19)14-23-7-9-24(10-8-23)15-3-4-18(26(29)30)17(12-15)21-13-16-2-1-11-31-16/h1-6,11-12,21H,7-10,13-14H2,(H,22,27)/p+1