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

Systemtic Name: 5-bromanyl-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]isatin Formula: C15H18BrN2O2+ MolecularWeight: 338.21962

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H17BrN2O2/c1-10-3-2-6-17(8-10)9-18-13-5-4-11(16)7-12(13)14(19)15(18)20/h4-5,7,10H,2-3,6,8-9H2,1H3/p+1/t10-/m1/s1