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

Systemtic Name: (3S)-3-[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-isobenzofuran-1-one CAS Name: (3S)-3-[(3,5-dibromo-2-pyridin-1-iumyl)amino]-6,7-dimethoxy-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[(3,5-dibromopyridin-1-ium-2-yl)amino]-6,7-dimethoxy-phthalide Formula: C15H13Br2N2O4+ MolecularWeight: 445.08272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)NC3=C(C=C(C=[NH+]3)Br)Br)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)NC3=C(C=C(C=[NH+]3)Br)Br)OC

InChI

InChI=1S/C15H12Br2N2O4/c1-21-10-4-3-8-11(12(10)22-2)15(20)23-14(8)19-13-9(17)5-7(16)6-18-13/h3-6,14H,1-2H3,(H,18,19)/p+1/t14-/m0/s1