5-bromanyl-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(2S)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(2S)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(2S)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]isatin Formula: C19H19BrN3O2+ MolecularWeight: 401.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CN=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C19H18BrN3O2/c20-14-6-7-17-15(10-14)18(24)19(25)23(17)12-22-9-2-1-5-16(22)13-4-3-8-21-11-13/h3-4,6-8,10-11,16H,1-2,5,9,12H2/p+1/t16-/m0/s1