1-[4-ethoxy-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C19H25N2O4S2+ MolecularWeight: 409.5428

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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=CS3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2O4S2/c1-3-25-18-7-6-16(15(2)22)13-17(18)14-20-8-10-21(11-9-20)27(23,24)19-5-4-12-26-19/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1