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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CN2C3=CC=CC=C3C(=O)C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H19N3O2S/c25-19-15-7-1-3-9-17(15)24(21(19)26)13-23-11-5-6-14(12-23)20-22-16-8-2-4-10-18(16)27-20/h1-4,7-10,14H,5-6,11-13H2/p+1/t14-/m1/s1