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

Systemtic Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxypyridin-4-yl]methylazanium Openeye Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-4-pyridyl]methylammonium CAS Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-4-pyridinyl]methylammonium IUPAC Name: [2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxypyridin-4-yl]methylazanium Traditional Name: [2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-4-pyridyl]methylammonium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC2=NC=CC(=C2)C[NH3+])C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC2=NC=CC(=C2)C[NH3+])C(C)C

InChI

InChI=1S/C16H26N2O/c1-11(2)14-5-4-12(3)8-15(14)19-16-9-13(10-17)6-7-18-16/h6-7,9,11-12,14-15H,4-5,8,10,17H2,1-3H3/p+1/t12-,14+,15-/m0/s1