1-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[[5-(3-nitrophenyl)-2-furyl]methyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[[5-(3-nitrophenyl)-2-furanyl]methyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[[5-(3-nitrophenyl)furan-2-yl]methyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[[5-(3-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/c1-17-7-9-18(10-8-17)12-15-5-6-16(22-15)13-3-2-4-14(11-13)19(20)21/h2-6,11H,7-10,12H2,1H3/p+2