(3S)-3-[(5-bromanylpyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[(5-bromanylpyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(5-bromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(5-bromo-2-pyridin-1-iumyl)amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(5-bromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(5-bromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-phthalide Formula: C15H14BrN2O4+ MolecularWeight: 366.18666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=[NH+]C=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=[NH+]C=C(C=C3)Br)OC

InChI

InChI=1S/C15H13BrN2O4/c1-20-10-5-4-9-12(13(10)21-2)15(19)22-14(9)18-11-6-3-8(16)7-17-11/h3-7,14H,1-2H3,(H,17,18)/p+1/t14-/m0/s1