4-[[4-[2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(1R)-3-oxidanylidene-1H-2-benzofuran-1-yl]ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-[(1R)-3-oxo-1H-isobenzofuran-1-yl]ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[(1R)-3-ketophthalan-1-yl]acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CC3C4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C[C@@H]3C4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H21N3O3/c23-14-16-5-7-17(8-6-16)15-24-9-11-25(12-10-24)21(26)13-20-18-3-1-2-4-19(18)22(27)28-20/h1-8,20H,9-13,15H2/p+1/t20-/m1/s1