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

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3S/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/h1-10,21H,11-18H2/p+1/t21-/m0/s1