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

Systemtic Name: (3-fluorophenyl)methyl-[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: (3-fluorophenyl)methyl-[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]azanium Traditional Name: (3-fluorobenzyl)-[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C15H24FN2O+ MolecularWeight: 267.362263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23FN2O/c1-11(2)7-8-17-15(19)12(3)18-10-13-5-4-6-14(16)9-13/h4-6,9,11-12,18H,7-8,10H2,1-3H3,(H,17,19)/p+1/t12-/m0/s1