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

Systemtic Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]-1,4-diazepane-1,4-diium Formula: C17H23N3O3+2 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-18-9-4-10-19(12-11-18)13-14-7-8-17(23-14)15-5-2-3-6-16(15)20(21)22/h2-3,5-8H,4,9-13H2,1H3/p+2