[(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium

Systemtic Name: [(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Openeye Name: [(2S)-2-[(3-fluorophenyl)methyl-methyl-amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium CAS Name: [(2S)-2-[(3-fluorophenyl)methyl-methylamino]-2-(1-methyl-4-pyrazolyl)ethyl]ammonium IUPAC Name: [(2S)-2-[(3-fluorophenyl)methyl-methylamino]-2-(1-methylpyrazol-4-yl)ethyl]azanium Traditional Name: [(2S)-2-[(3-fluorobenzyl)-methyl-amino]-2-(1-methylpyrazol-4-yl)ethyl]ammonium Formula: C14H20FN4+ MolecularWeight: 263.333803

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(C[NH3+])N(C)CC2=CC(=CC=C2)F

Isomeric SMILES

CN1C=C(C=N1)[C@@H](C[NH3+])N(C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C14H19FN4/c1-18(9-11-4-3-5-13(15)6-11)14(7-16)12-8-17-19(2)10-12/h3-6,8,10,14H,7,9,16H2,1-2H3/p+1/t14-/m1/s1