2-[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[4,5-bis(bromanyl)thiophen-2-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(4,5-dibromo-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4,5-dibromothiophene-2-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H20Br2N3O2S+ MolecularWeight: 466.2112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)Br)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(S3)Br)Br

InChI

InChI=1S/C15H19Br2N3O2S/c16-11-9-12(23-14(11)17)15(22)20-7-5-18(6-8-20)10-13(21)19-3-1-2-4-19/h9H,1-8,10H2/p+1