2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(2-thiophen-2-ylethyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[2-(2-thienyl)ethyl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCC2=CC=CS2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCC2=CC=CS2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c25-20(22-11-10-18-9-5-15-27-18)16-19-21(26)23-12-14-24(19)13-4-8-17-6-2-1-3-7-17/h1-3,5-7,9,15,19H,4,8,10-14,16H2,(H,22,25)(H,23,26)/p+1/t19-/m1/s1