(3S)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-3H-isobenzofuran-1-one CAS Name: (3S)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-3H-2-benzofuran-1-one Traditional Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)phthalide Formula: C19H22N2O2+2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)C3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C19H20N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9,18H,10-14H2/p+2/t18-/m0/s1