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

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: (2R)-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-[4-(2-thenoyl)piperazin-1-ium-1-yl]ethanone Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c26-21(19-10-7-17-28-19)25-15-13-23(14-16-25)20(18-8-3-1-4-9-18)22(27)24-11-5-2-6-12-24/h1,3-4,7-10,17,20H,2,5-6,11-16H2/p+1/t20-/m1/s1