[(1S,2S)-1-(azepan-1-ium-1-yl)-2-methyl-cyclohexyl]methylazanium

Systemtic Name: [(1S,2S)-1-(azepan-1-ium-1-yl)-2-methyl-cyclohexyl]methylazanium Openeye Name: [(1S,2S)-1-(azepan-1-ium-1-yl)-2-methyl-cyclohexyl]methylammonium CAS Name: [(1S,2S)-1-(1-azepan-1-iumyl)-2-methylcyclohexyl]methylammonium IUPAC Name: [(1S,2S)-1-(azepan-1-ium-1-yl)-2-methylcyclohexyl]methylazanium Traditional Name: [(1S,2S)-1-(azepan-1-ium-1-yl)-2-methyl-cyclohexyl]methylammonium Formula: C14H30N2+2 MolecularWeight: 226.4014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

C[C@H]1CCCC[C@]1(C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C14H28N2/c1-13-8-4-5-9-14(13,12-15)16-10-6-2-3-7-11-16/h13H,2-12,15H2,1H3/p+2/t13-,14+/m0/s1