2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(2R)-3-oxo-1-(2-thienylmethyl)piperazin-1-ium-2-yl]-N-phenethyl-acetamide CAS Name: 2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)-2-piperazin-1-iumyl]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(2R)-3-oxo-1-(thiophen-2-ylmethyl)piperazin-1-ium-2-yl]-N-phenethylacetamide Traditional Name: N-benzyl-2-[(2R)-3-keto-1-(2-thenyl)piperazin-1-ium-2-yl]-N-phenethyl-acetamide Formula: C26H30N3O2S+ MolecularWeight: 448.6003

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C26H29N3O2S/c30-25(18-24-26(31)27-14-16-28(24)20-23-12-7-17-32-23)29(19-22-10-5-2-6-11-22)15-13-21-8-3-1-4-9-21/h1-12,17,24H,13-16,18-20H2,(H,27,31)/p+1/t24-/m1/s1