[(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-[(3-fluorophenyl)methyl]azanium

Systemtic Name: [(2S)-1-(butylamino)-1-oxidanylidene-propan-2-yl]-[(3-fluorophenyl)methyl]azanium Openeye Name: [(1S)-2-(butylamino)-1-methyl-2-oxo-ethyl]-[(3-fluorophenyl)methyl]ammonium CAS Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]ammonium IUPAC Name: [(2S)-1-(butylamino)-1-oxopropan-2-yl]-[(3-fluorophenyl)methyl]azanium Traditional Name: [(1S)-2-(butylamino)-2-keto-1-methyl-ethyl]-(3-fluorobenzyl)ammonium Formula: C14H22FN2O+ MolecularWeight: 253.335683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2O/c1-3-4-8-16-14(18)11(2)17-10-12-6-5-7-13(15)9-12/h5-7,9,11,17H,3-4,8,10H2,1-2H3,(H,16,18)/p+1/t11-/m0/s1