(3-fluorophenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: (3-fluorophenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: (3-fluorobenzyl)-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C17H17FN3+ MolecularWeight: 282.335383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C[NH2+]CC3=CC(=CC=C3)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C[NH2+]CC3=CC(=CC=C3)F

InChI

InChI=1S/C17H16FN3/c18-16-6-4-5-14(9-16)10-19-11-15-12-20-21(13-15)17-7-2-1-3-8-17/h1-9,12-13,19H,10-11H2/p+1