[(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium

Systemtic Name: [(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium Openeye Name: [(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-(3-pyridyl)ethyl]ammonium CAS Name: [(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-(3-pyridinyl)ethyl]ammonium IUPAC Name: [(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-pyridin-3-ylethyl]azanium Traditional Name: [(1S,2R)-2-tert-butylcyclohexyl]-[(1S)-1-(3-pyridyl)ethyl]ammonium Formula: C17H29N2+ MolecularWeight: 261.42556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=CC=C1)[NH2+]C2CCCCC2C(C)(C)C

Isomeric SMILES

C[C@@H](C1=CN=CC=C1)[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C

InChI

InChI=1S/C17H28N2/c1-13(14-8-7-11-18-12-14)19-16-10-6-5-9-15(16)17(2,3)4/h7-8,11-13,15-16,19H,5-6,9-10H2,1-4H3/p+1/t13-,15-,16-/m0/s1