2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperazin-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[5-(acetamidomethyl)-2-thiophenyl]sulfonyl]-1-piperazin-1-iumyl]-N,N-diethylacetamide IUPAC Name: 2-[4-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[[5-(acetamidomethyl)-2-thienyl]sulfonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C17H29N4O4S2+ MolecularWeight: 417.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C

InChI

InChI=1S/C17H28N4O4S2/c1-4-20(5-2)16(23)13-19-8-10-21(11-9-19)27(24,25)17-7-6-15(26-17)12-18-14(3)22/h6-7H,4-5,8-13H2,1-3H3,(H,18,22)/p+1