2-(4-fluorophenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[2-(4-fluorophenyl)ethyl]ammonium Formula: C16H27FN+ MolecularWeight: 252.390683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=CC=C(C=C1)F

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CCC1=CC=C(C=C1)F

InChI

InChI=1S/C16H26FN/c1-4-13(3)12-16(5-2)18-11-10-14-6-8-15(17)9-7-14/h6-9,13,16,18H,4-5,10-12H2,1-3H3/p+1/t13-,16-/m0/s1