1-[3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]methyl]-4-ethoxy-phenyl]ethanone Formula: C19H24ClN2O4S2+ MolecularWeight: 443.98786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C19H23ClN2O4S2/c1-3-26-17-5-4-15(14(2)23)12-16(17)13-21-8-10-22(11-9-21)28(24,25)19-7-6-18(20)27-19/h4-7,12H,3,8-11,13H2,1-2H3/p+1