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

Systemtic Name: 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]thio]methyl]benzonitrile Formula: C24H24N3OS2+ MolecularWeight: 434.59686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23N3OS2/c25-16-19-7-9-20(10-8-19)18-30-23-6-2-1-5-22(23)24(28)27-13-11-26(12-14-27)17-21-4-3-15-29-21/h1-10,15H,11-14,17-18H2/p+1