3-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazine-1,4-diium-1-yl]propanenitrile

Systemtic Name: 3-[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-[(1,3-dioxoisoindolin-2-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-[(1,3-dioxo-2-isoindolyl)methyl]-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-[(1,3-dioxoisoindol-2-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-(phthalimidomethyl)piperazine-1,4-diium-1-yl]propionitrile Formula: C16H20N4O2+2 MolecularWeight: 300.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC#N)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H18N4O2/c17-6-3-7-18-8-10-19(11-9-18)12-20-15(21)13-4-1-2-5-14(13)16(20)22/h1-2,4-5H,3,7-12H2/p+2