[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-(3-thienylmethyl)ammonium CAS Name: [5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-(3-thenyl)ammonium Formula: C16H17FN3OS+ MolecularWeight: 318.389083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CSC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CC3=CSC=C3)F

InChI

InChI=1S/C16H16FN3OS/c1-21-15-3-2-12(6-14(15)17)16-13(9-19-20-16)8-18-7-11-4-5-22-10-11/h2-6,9-10,18H,7-8H2,1H3,(H,19,20)/p+1