1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepan-1-ium

Systemtic Name: 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepan-1-ium Openeye Name: 1-[[5-(2-nitrophenyl)-2-furyl]methyl]azepan-1-ium CAS Name: 1-[[5-(2-nitrophenyl)-2-furanyl]methyl]azepan-1-ium IUPAC Name: 1-[[5-(2-nitrophenyl)furan-2-yl]methyl]azepan-1-ium Traditional Name: 1-[[5-(2-nitrophenyl)-2-furyl]methyl]azepan-1-ium Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O3/c20-19(21)16-8-4-3-7-15(16)17-10-9-14(22-17)13-18-11-5-1-2-6-12-18/h3-4,7-10H,1-2,5-6,11-13H2/p+1