1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium Formula: C16H21N3O3+2 MolecularWeight: 303.35624

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-17-8-10-18(11-9-17)12-13-6-7-16(22-13)14-4-2-3-5-15(14)19(20)21/h2-7H,8-12H2,1H3/p+2