cyclohexyl-methyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium

Systemtic Name: cyclohexyl-methyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium Openeye Name: cyclohexyl-methyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]ammonium CAS Name: cyclohexyl-methyl-[2-oxo-2-[2-(phenylthio)anilino]ethyl]ammonium IUPAC Name: cyclohexyl-methyl-[2-oxo-2-(2-phenylsulfanylanilino)ethyl]azanium Traditional Name: cyclohexyl-[2-keto-2-[2-(phenylthio)anilino]ethyl]-methyl-ammonium Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C[NH+](CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H26N2OS/c1-23(17-10-4-2-5-11-17)16-21(24)22-19-14-8-9-15-20(19)25-18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3,(H,22,24)/p+1