[(1S,2S)-2-[ethyl-(2-methylphenyl)amino]cycloheptyl]azanium

Systemtic Name: [(1S,2S)-2-[ethyl-(2-methylphenyl)amino]cycloheptyl]azanium Openeye Name: [(1S,2S)-2-(N-ethyl-2-methyl-anilino)cycloheptyl]ammonium CAS Name: [(1S,2S)-2-(N-ethyl-2-methylanilino)cycloheptyl]ammonium IUPAC Name: [(1S,2S)-2-(N-ethyl-2-methylanilino)cycloheptyl]azanium Traditional Name: [(1S,2S)-2-(N-ethyl-2-methyl-anilino)cycloheptyl]ammonium Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCCC1[NH3+])C2=CC=CC=C2C

Isomeric SMILES

CCN([C@H]1CCCCC[C@@H]1[NH3+])C2=CC=CC=C2C

InChI

InChI=1S/C16H26N2/c1-3-18(15-11-8-7-9-13(15)2)16-12-6-4-5-10-14(16)17/h7-9,11,14,16H,3-6,10,12,17H2,1-2H3/p+1/t14-,16-/m0/s1