2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]azanium Traditional Name: 2-(4-fluorophenyl)ethyl-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl]ammonium Formula: C18H29FN+ MolecularWeight: 278.427963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)[NH2+]CCC2=CC=C(C=C2)F)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)[NH2+]CCC2=CC=C(C=C2)F)C(C)C

InChI

InChI=1S/C18H28FN/c1-13(2)17-9-4-14(3)12-18(17)20-11-10-15-5-7-16(19)8-6-15/h5-8,13-14,17-18,20H,4,9-12H2,1-3H3/p+1/t14-,17+,18-/m0/s1