[(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]azanium

Systemtic Name: [(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]azanium Openeye Name: [(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]ammonium CAS Name: [(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]ammonium IUPAC Name: [(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]azanium Traditional Name: [(1S,2S,4R)-4-tert-butyl-2-(3,5-dimethylphenoxy)cyclohexyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2CC(CCC2[NH3+])C(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)O[C@H]2C[C@@H](CC[C@@H]2[NH3+])C(C)(C)C)C

InChI

InChI=1S/C18H29NO/c1-12-8-13(2)10-15(9-12)20-17-11-14(18(3,4)5)6-7-16(17)19/h8-10,14,16-17H,6-7,11,19H2,1-5H3/p+1/t14-,16+,17+/m1/s1