N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]propan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-4-ium-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-furamide Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3/c29-24(23-12-7-17-31-23)26-22(18-20-8-3-1-4-9-20)25(30)28-15-13-27(14-16-28)19-21-10-5-2-6-11-21/h1-12,17,22H,13-16,18-19H2,(H,26,29)/p+1/t22-/m0/s1