(2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium

Systemtic Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium Openeye Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: (2-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ammonium IUPAC Name: (2-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]azanium Traditional Name: (2-fluorobenzyl)-(3-imidazol-1-ylpropyl)-[[5-(2-thienyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C21H23FN5S+ MolecularWeight: 396.504223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=C(NN=C3)C4=CC=CS4)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH+](CCCN2C=CN=C2)CC3=C(NN=C3)C4=CC=CS4)F

InChI

InChI=1S/C21H22FN5S/c22-19-6-2-1-5-17(19)14-27(10-4-9-26-11-8-23-16-26)15-18-13-24-25-21(18)20-7-3-12-28-20/h1-3,5-8,11-13,16H,4,9-10,14-15H2,(H,24,25)/p+1