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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21FN2O/c1-10(2)8-17-14(18)11(3)16-9-12-5-4-6-13(15)7-12/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)/p+1/t11-/m0/s1