(3-fluorophenyl)methyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: (3-fluorophenyl)methyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: (3-fluorobenzyl)-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium Formula: C17H27FN+ MolecularWeight: 264.401383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CC2=CC(=CC=C2)F)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CC2=CC(=CC=C2)F)C(C)C

InChI

InChI=1S/C17H26FN/c1-12(2)16-8-7-13(3)9-17(16)19-11-14-5-4-6-15(18)10-14/h4-6,10,12-13,16-17,19H,7-9,11H2,1-3H3/p+1/t13-,16+,17-/m0/s1