N-[(2R)-1-oxidanylidene-3-phenyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-oxidanylidene-3-phenyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: N-[(1R)-1-benzyl-2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: N-[(2R)-1-oxo-3-phenyl-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: N-[(2R)-1-oxo-3-phenyl-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Traditional Name: N-[(1R)-1-benzyl-2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]benzamide Formula: C25H28N3O2S+ MolecularWeight: 434.57372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c29-24(22-9-5-2-6-10-22)26-23(17-20-7-3-1-4-8-20)25(30)28-14-12-27(13-15-28)18-21-11-16-31-19-21/h1-11,16,19,23H,12-15,17-18H2,(H,26,29)/p+1/t23-/m1/s1