4-bromanyl-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 4-bromanyl-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[(3S)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]isatin Formula: C15H15BrF3N2O2+ MolecularWeight: 392.19101

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O)C(F)(F)F

InChI

InChI=1S/C15H14BrF3N2O2/c16-10-4-1-5-11-12(10)13(22)14(23)21(11)8-20-6-2-3-9(7-20)15(17,18)19/h1,4-5,9H,2-3,6-8H2/p+1/t9-/m0/s1