2-[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3C4=CC=CC=C4C#N

InChI

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