2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(3R)-1,1-dioxo-3-thiolanyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(3R)-1,1-diketothiolan-3-yl]acetamide Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2CCS(=O)(=O)C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)N[C@@H]2CCS(=O)(=O)C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N3O3S2/c22-17(19-14-7-9-26(23,24)12-14)11-21-8-3-4-13(10-21)18-20-15-5-1-2-6-16(15)25-18/h1-2,5-6,13-14H,3-4,7-12H2,(H,19,22)/p+1/t13-,14+/m0/s1