2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(tert-butylcarbamoyl)acetamide Formula: C16H27BrN4O2S+2 MolecularWeight: 419.38018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C16H25BrN4O2S/c1-16(2,3)19-15(23)18-14(22)11-21-8-6-20(7-9-21)10-12-4-5-13(17)24-12/h4-5H,6-11H2,1-3H3,(H2,18,19,22,23)/p+2