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

Systemtic Name: 2-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanoylamino]-N-ethyl-ethanamide Openeye Name: 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-acetamide CAS Name: 2-[[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-1-oxoethyl]amino]-N-ethylacetamide IUPAC Name: 2-[[2-[4-[(5-bromothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethylacetamide Traditional Name: 2-[[2-[4-[(5-bromo-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]-N-ethyl-acetamide Formula: C15H25BrN4O2S+2 MolecularWeight: 405.3536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN4O2S/c1-2-17-14(21)9-18-15(22)11-20-7-5-19(6-8-20)10-12-3-4-13(16)23-12/h3-4H,2,5-11H2,1H3,(H,17,21)(H,18,22)/p+2