3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl (2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanoate

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propyl (2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl (2R)-2-phenyl-2-piperidin-1-ium-1-yl-acetate CAS Name: (2R)-2-phenyl-2-(1-piperidin-1-iumyl)acetic acid 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl ester IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propyl (2R)-2-phenyl-2-piperidin-1-ium-1-ylacetate Traditional Name: (2R)-2-phenyl-2-piperidin-1-ium-1-yl-acetic acid 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propyl ester Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)OCCCNC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H27N3O4S/c27-23(21(18-10-3-1-4-11-18)26-15-7-2-8-16-26)30-17-9-14-24-22-19-12-5-6-13-20(19)31(28,29)25-22/h1,3-6,10-13,21H,2,7-9,14-17H2,(H,24,25)/p+1/t21-/m1/s1