4-[[4-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-1-benzofuran-2-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chlorobenzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-benzofuranyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chlorobenzofuran-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H19ClN3O2+ MolecularWeight: 380.84746

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H18ClN3O2/c22-18-5-6-19-17(11-18)12-20(27-19)21(26)25-9-7-24(8-10-25)14-16-3-1-15(13-23)2-4-16/h1-6,11-12H,7-10,14H2/p+1