(3-fluorophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: (3-fluorophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[(3-fluorophenyl)methyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(3-fluorobenzyl)ammonium Formula: C15H25FN+ MolecularWeight: 238.364103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC1=CC(=CC=C1)F

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CC1=CC(=CC=C1)F

InChI

InChI=1S/C15H24FN/c1-4-12(3)9-15(5-2)17-11-13-7-6-8-14(16)10-13/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3/p+1/t12-,15-/m0/s1