4-[[4-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-[[(2R)-2-oxolanyl]methylthio]phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H28N3O2S+ MolecularWeight: 422.56302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[C@@H](OC1)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N3O2S/c25-16-19-7-9-20(10-8-19)17-26-11-13-27(14-12-26)24(28)22-5-1-2-6-23(22)30-18-21-4-3-15-29-21/h1-2,5-10,21H,3-4,11-15,17-18H2/p+1/t21-/m1/s1