(3S)-6,7-dimethoxy-3-(pyridin-1-ium-2-ylamino)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-6,7-dimethoxy-3-(pyridin-1-ium-2-ylamino)-3H-2-benzofuran-1-one Openeye Name: (3S)-6,7-dimethoxy-3-(pyridin-1-ium-2-ylamino)-3H-isobenzofuran-1-one CAS Name: (3S)-6,7-dimethoxy-3-(2-pyridin-1-iumylamino)-3H-isobenzofuran-1-one IUPAC Name: (3S)-6,7-dimethoxy-3-(pyridin-1-ium-2-ylamino)-3H-2-benzofuran-1-one Traditional Name: (3S)-6,7-dimethoxy-3-(pyridin-1-ium-2-ylamino)phthalide Formula: C15H15N2O4+ MolecularWeight: 287.2906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c1-19-10-7-6-9-12(13(10)20-2)15(18)21-14(9)17-11-5-3-4-8-16-11/h3-8,14H,1-2H3,(H,16,17)/p+1/t14-/m0/s1