1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-[(E)-styryl]sulfonylpiperazino]-2-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C22H28N3O3S2+ MolecularWeight: 446.60602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H27N3O3S2/c26-22(18-24-11-4-8-20(24)21-9-5-16-29-21)23-12-14-25(15-13-23)30(27,28)17-10-19-6-2-1-3-7-19/h1-3,5-7,9-10,16-17,20H,4,8,11-15,18H2/p+1/b17-10+/t20-/m0/s1