4-[[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(benzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-benzofuranyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(benzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H20N3O2+ MolecularWeight: 346.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19N3O2/c22-14-16-5-7-17(8-6-16)15-23-9-11-24(12-10-23)21(25)20-13-18-3-1-2-4-19(18)26-20/h1-8,13H,9-12,15H2/p+1