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

Systemtic Name: 5-bromanyl-1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]isatin Formula: C16H20BrN2O2+ MolecularWeight: 352.2462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2O2/c1-2-12-5-3-4-8-18(12)10-19-14-7-6-11(17)9-13(14)15(20)16(19)21/h6-7,9,12H,2-5,8,10H2,1H3/p+1/t12-/m0/s1