4-[[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[5-(2-chlorophenyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[5-(2-chlorophenyl)-2-furoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H21ClN3O2+ MolecularWeight: 406.88474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H20ClN3O2/c24-20-4-2-1-3-19(20)21-9-10-22(29-21)23(28)27-13-11-26(12-14-27)16-18-7-5-17(15-25)6-8-18/h1-10H,11-14,16H2/p+1