3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propionitrile Formula: C11H15BrN3O2S2+ MolecularWeight: 365.2897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(S2)Br

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=C(S2)Br

InChI

InChI=1S/C11H14BrN3O2S2/c12-10-2-3-11(18-10)19(16,17)15-8-6-14(7-9-15)5-1-4-13/h2-3H,1,5-9H2/p+1