4-[[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[2-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[2-[4-(3-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=CSC=C2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)C3=CC=CC=C3SCC4=CC=C(C=C4)C#N

InChI

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