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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-[(4-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(4-nitrobenzyl)piperazine-1,4-diium Formula: C16H20BrN3O2S+2 MolecularWeight: 398.3179

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(S3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(S3)Br

InChI

InChI=1S/C16H18BrN3O2S/c17-16-6-5-15(23-16)12-19-9-7-18(8-10-19)11-13-1-3-14(4-2-13)20(21)22/h1-6H,7-12H2/p+2