1-ethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-ethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-ethyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-ethyl-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazin-4-ium IUPAC Name: 1-ethyl-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-ethyl-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3/c1-2-18-9-11-19(12-10-18)13-14-7-8-17(23-14)15-5-3-4-6-16(15)20(21)22/h3-8H,2,9-13H2,1H3/p+1