6-bromanyl-3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-bromanyl-3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-bromo-3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazol-2-one CAS Name: 6-bromo-3-[[(6-methyl-2-pyridin-1-iumyl)amino]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-bromo-3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-bromo-3-[[(6-methylpyridin-1-ium-2-yl)amino]methyl]-1,3-benzoxazol-2-one Formula: C14H13BrN3O2+ MolecularWeight: 335.17592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)Br)OC2=O

Isomeric SMILES

CC1=[NH+]C(=CC=C1)NCN2C3=C(C=C(C=C3)Br)OC2=O

InChI

InChI=1S/C14H12BrN3O2/c1-9-3-2-4-13(17-9)16-8-18-11-6-5-10(15)7-12(11)20-14(18)19/h2-7H,8H2,1H3,(H,16,17)/p+1