2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]azanium

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxidanylidene-1-(pentan-3-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(1-ethylpropylamino)-1-methyl-2-oxo-ethyl]-[2-(4-fluorophenyl)ethyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-oxo-1-(pentan-3-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(1-ethylpropylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN2O/c1-4-15(5-2)19-16(20)12(3)18-11-10-13-6-8-14(17)9-7-13/h6-9,12,15,18H,4-5,10-11H2,1-3H3,(H,19,20)/p+1/t12-/m0/s1