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

Systemtic Name: 2-[[4-[3-(furan-2-ylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-[3-(2-furylmethylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[3-(2-furanylmethylamino)-4-nitrophenyl]-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-[3-(furan-2-ylmethylamino)-4-nitrophenyl]piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-[3-(2-furfurylamino)-4-nitro-phenyl]piperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C24H24N5O5+ MolecularWeight: 462.47786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CO5

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)[N+](=O)[O-])NCC5=CC=CO5

InChI

InChI=1S/C24H23N5O5/c30-23-19-5-1-2-6-20(19)24(31)28(23)16-26-9-11-27(12-10-26)17-7-8-22(29(32)33)21(14-17)25-15-18-4-3-13-34-18/h1-8,13-14,25H,9-12,15-16H2/p+1