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

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C16H16BrN4O2S+ MolecularWeight: 408.29284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O2S/c17-16-4-2-14(24-16)11-19-5-7-20(8-6-19)15-3-1-13(21(22)23)9-12(15)10-18/h1-4,9H,5-8,11H2/p+1