4-[[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-thiophen-2-ylcarbonylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-[oxo(thiophen-2-yl)methyl]phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(thiophene-2-carbonyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-thenoyl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H22N3O2S+ MolecularWeight: 416.51538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3C(=O)C4=CC=CS4

InChI

InChI=1S/C24H21N3O2S/c25-16-18-7-9-19(10-8-18)17-26-11-13-27(14-12-26)24(29)21-5-2-1-4-20(21)23(28)22-6-3-15-30-22/h1-10,15H,11-14,17H2/p+1