5-bromanyl-1-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]indole-2,3-dione

Systemtic Name: 5-bromanyl-1-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]indole-2,3-dione Openeye Name: 5-bromo-1-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]indoline-2,3-dione CAS Name: 5-bromo-1-[[(6-methyl-2-pyridin-1-iumyl)amino]methyl]indole-2,3-dione IUPAC Name: 5-bromo-1-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]indole-2,3-dione Traditional Name: 5-bromo-1-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]isatin Formula: C15H13BrN3O2+ MolecularWeight: 347.18662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)Br)C(=O)C2=O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H12BrN3O2/c1-9-3-2-4-13(18-9)17-8-19-12-6-5-10(16)7-11(12)14(20)15(19)21/h2-7H,8H2,1H3,(H,17,18)/p+1