[(1S)-1-(4-methoxyphenyl)-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-1-(4-methoxyphenyl)-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-(4-methoxyphenyl)-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-(4-methoxyphenyl)-2-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-(4-methoxyphenyl)-2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]ethyl]-dimethylazanium Traditional Name: [(1S)-1-(4-methoxyphenyl)-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N4O2S/c1-28(2)22(18-11-13-20(31-3)14-12-18)16-26-25(30)21-17-29(19-8-5-4-6-9-19)27-24(21)23-10-7-15-32-23/h4-15,17,22H,16H2,1-3H3,(H,26,30)/p+1/t22-/m1/s1