4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybutylazanium

Systemtic Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxybutylazanium Openeye Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]butylammonium CAS Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybutylammonium IUPAC Name: 4-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybutylazanium Traditional Name: 4-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]butylammonium Formula: C14H30NO+ MolecularWeight: 228.3941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCCCC[NH3+])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCCCC[NH3+])C(C)C

InChI

InChI=1S/C14H29NO/c1-11(2)13-7-6-12(3)10-14(13)16-9-5-4-8-15/h11-14H,4-10,15H2,1-3H3/p+1/t12-,13+,14-/m0/s1