[(1S)-2-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H23FN5OS+ MolecularWeight: 424.514323

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(N(N=C1)C2=CC=CC=C2F)N3C=CC=C3)C4=CSC=C4

InChI

InChI=1S/C22H22FN5OS/c1-26(2)20(16-9-12-30-15-16)14-24-21(29)17-13-25-28(19-8-4-3-7-18(19)23)22(17)27-10-5-6-11-27/h3-13,15,20H,14H2,1-2H3,(H,24,29)/p+1/t20-/m1/s1