(3R)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-nitro-3H-2-benzofuran-1-one

Systemtic Name: (3R)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-6-nitro-3H-2-benzofuran-1-one Openeye Name: (3R)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-nitro-3H-isobenzofuran-1-one CAS Name: (3R)-3-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-6-nitro-3H-isobenzofuran-1-one IUPAC Name: (3R)-3-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-nitro-3H-2-benzofuran-1-one Traditional Name: (3R)-3-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-6-nitro-phthalide Formula: C15H18N3O5+ MolecularWeight: 320.32052

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C[C@@H]2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C15H17N3O5/c1-16-4-6-17(7-5-16)14(19)9-13-11-3-2-10(18(21)22)8-12(11)15(20)23-13/h2-3,8,13H,4-7,9H2,1H3/p+1/t13-/m1/s1