2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(pentylamino)propan-2-yl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[(1S)-1-methyl-2-oxo-2-(pentylamino)ethyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(pentylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(amylamino)-2-keto-1-methyl-ethyl]-[2-(4-fluorophenyl)ethyl]ammonium Formula: C16H26FN2O+ MolecularWeight: 281.388843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN2O/c1-3-4-5-11-19-16(20)13(2)18-12-10-14-6-8-15(17)9-7-14/h6-9,13,18H,3-5,10-12H2,1-2H3,(H,19,20)/p+1/t13-/m0/s1