2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C21H19N3O2S/c25-20-14-7-1-2-8-15(14)21(26)24(20)13-23-12-6-5-10-17(23)19-22-16-9-3-4-11-18(16)27-19/h1-4,7-9,11,17H,5-6,10,12-13H2/p+1/t17-/m1/s1