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

Systemtic Name: 4-bromanyl-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]isatin Formula: C15H18BrN2O2+ MolecularWeight: 338.21962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrN2O2/c1-10-5-2-3-8-17(10)9-18-12-7-4-6-11(16)13(12)14(19)15(18)20/h4,6-7,10H,2-3,5,8-9H2,1H3/p+1/t10-/m0/s1