[(1S,2S)-2-methylcyclohexyl]-[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl]azanium

Systemtic Name: [(1S,2S)-2-methylcyclohexyl]-[2-oxidanylidene-2-[(2-phenoxyphenyl)amino]ethyl]azanium Openeye Name: [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenoxyanilino)ethyl]ammonium CAS Name: [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenoxyanilino)ethyl]ammonium IUPAC Name: [(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenoxyanilino)ethyl]azanium Traditional Name: [2-keto-2-(2-phenoxyanilino)ethyl]-[(1S,2S)-2-methylcyclohexyl]ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c1-16-9-5-6-12-18(16)22-15-21(24)23-19-13-7-8-14-20(19)25-17-10-3-2-4-11-17/h2-4,7-8,10-11,13-14,16,18,22H,5-6,9,12,15H2,1H3,(H,23,24)/p+1/t16-,18-/m0/s1