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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-(2-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-(2-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-bromo-2-thienyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium Formula: C15H17BrN3O2S+ MolecularWeight: 383.28338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H16BrN3O2S/c16-15-6-5-12(22-15)11-17-7-9-18(10-8-17)13-3-1-2-4-14(13)19(20)21/h1-6H,7-11H2/p+1