cyclopentyl-dimethyl-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl]azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3CCCC3

Isomeric SMILES

C[N+](C)(CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2)C3CCCC3

InChI

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