(3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-3H-isobenzofuran-1-one CAS Name: (3S)-3-(4-methyl-1-piperazine-1,4-diiumyl)-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(4-methylpiperazine-1,4-diium-1-yl)phthalide Formula: C13H18N2O2+2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C2C3=CC=CC=C3C(=O)O2

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@H]2C3=CC=CC=C3C(=O)O2

InChI

InChI=1S/C13H16N2O2/c1-14-6-8-15(9-7-14)12-10-4-2-3-5-11(10)13(16)17-12/h2-5,12H,6-9H2,1H3/p+2/t12-/m0/s1