[(1S)-2-[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[5-(furan-2-yl)-2-phenyl-pyrazol-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[5-(2-furanyl)-2-phenyl-3-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[5-(2-furyl)-2-phenyl-pyrazole-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C22H23N4O2S+ MolecularWeight: 407.50862

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CO3)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CO3)C4=CSC=C4

InChI

InChI=1S/C22H22N4O2S/c1-25(2)20(16-10-12-29-15-16)14-23-22(27)19-13-18(21-9-6-11-28-21)24-26(19)17-7-4-3-5-8-17/h3-13,15,20H,14H2,1-2H3,(H,23,27)/p+1/t20-/m1/s1