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

Systemtic Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 2-(4-fluorophenyl)ethyl-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 2-(4-fluorophenyl)ethyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]azanium Traditional Name: 2-(4-fluorophenyl)ethyl-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C16H26FN2O+ MolecularWeight: 281.388843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25FN2O/c1-12(2)8-10-19-16(20)13(3)18-11-9-14-4-6-15(17)7-5-14/h4-7,12-13,18H,8-11H2,1-3H3,(H,19,20)/p+1/t13-/m0/s1