4-bromanyl-1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]indole-2,3-dione

Systemtic Name: 4-bromanyl-1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isatin Formula: C15H18BrN2O3+ MolecularWeight: 354.21902

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H17BrN2O3/c1-9-6-17(7-10(2)21-9)8-18-12-5-3-4-11(16)13(12)14(19)15(18)20/h3-5,9-10H,6-8H2,1-2H3/p+1/t9-,10-/m0/s1