N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3R)-1,1-diketo-2,3-dihydrothiophen-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N(C2CS(=O)(=O)C=C2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N([C@H]2CS(=O)(=O)C=C2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-22(17-23-12-14-24(15-13-23)19-7-3-1-4-8-19)25(20-9-5-2-6-10-20)21-11-16-29(27,28)18-21/h1-11,16,21H,12-15,17-18H2/p+1/t21-/m1/s1