[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]azanium Openeye Name: [(1S)-1-carbamoyl-3-methyl-butyl]-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]ammonium IUPAC Name: [(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]azanium Traditional Name: [(1S)-1-carbamoyl-3-methyl-butyl]-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]ammonium Formula: C17H24FN4O+ MolecularWeight: 319.397063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)[NH2+]CC1=CN(N=C1C2=CC=CC=C2F)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)[NH2+]CC1=CN(N=C1C2=CC=CC=C2F)C

InChI

InChI=1S/C17H23FN4O/c1-11(2)8-15(17(19)23)20-9-12-10-22(3)21-16(12)13-6-4-5-7-14(13)18/h4-7,10-11,15,20H,8-9H2,1-3H3,(H2,19,23)/p+1/t15-/m0/s1