4-[(5-bromanylthiophen-2-yl)methyl]-N-ethoxy-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-ethoxy-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-ethoxy-piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-ethoxy-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-ethoxypiperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-ethoxy-piperazin-4-ium-1-carboxamide Formula: C12H19BrN3O2S+ MolecularWeight: 349.26716

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CCONC(=O)N1CC[NH+](CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C12H18BrN3O2S/c1-2-18-14-12(17)16-7-5-15(6-8-16)9-10-3-4-11(13)19-10/h3-4H,2,5-9H2,1H3,(H,14,17)/p+1