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

Systemtic Name: 1-[(5-bromanylfuran-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-furanyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromofuran-2-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-bromo-2-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C15H17BrN3O3+ MolecularWeight: 367.21778

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16BrN3O3/c16-15-6-5-14(22-15)11-17-7-9-18(10-8-17)12-1-3-13(4-2-12)19(20)21/h1-6H,7-11H2/p+1