[3-fluoranyl-4-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxymethyl]phenyl]methylazanium Openeye Name: [3-fluoro-4-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]phenyl]methylammonium CAS Name: [3-fluoro-4-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]phenyl]methylazanium Traditional Name: [3-fluoro-4-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]methyl]benzyl]ammonium Formula: C18H29FNO+ MolecularWeight: 294.427363

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC2=C(C=C(C=C2)C[NH3+])F)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC2=C(C=C(C=C2)C[NH3+])F)C(C)C

InChI

InChI=1S/C18H28FNO/c1-12(2)16-7-4-13(3)8-18(16)21-11-15-6-5-14(10-20)9-17(15)19/h5-6,9,12-13,16,18H,4,7-8,10-11,20H2,1-3H3/p+1/t13-,16+,18-/m0/s1