2-[4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile CAS Name: 2-[4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile Traditional Name: 2-[4-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]phenyl]benzonitrile Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3OS/c24-16-20-4-1-2-5-21(20)19-9-7-18(8-10-19)17-25-11-13-26(14-12-25)23(27)22-6-3-15-28-22/h1-10,15H,11-14,17H2/p+1