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

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: (2R)-2-phenyl-1-(1-piperidinyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N3O3S2+ MolecularWeight: 434.59532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N3O3S2/c25-21(23-11-5-2-6-12-23)20(18-8-3-1-4-9-18)22-13-15-24(16-14-22)29(26,27)19-10-7-17-28-19/h1,3-4,7-10,17,20H,2,5-6,11-16H2/p+1/t20-/m1/s1