(2R)-2-phenyl-1-pyrrolidin-1-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: (2R)-2-phenyl-1-(1-pyrrolidinyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2R)-2-phenyl-1-pyrrolidino-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O3S2/c24-20(22-10-4-5-11-22)19(17-7-2-1-3-8-17)21-12-14-23(15-13-21)28(25,26)18-9-6-16-27-18/h1-3,6-9,16,19H,4-5,10-15H2/p+1/t19-/m1/s1