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

Systemtic Name: dimethyl-[(2S)-2-phenyl-2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: [(2S)-2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]-2-phenylethyl]ammonium IUPAC Name: [(2S)-2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C25H27N4OS+ MolecularWeight: 431.57308

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N4OS/c1-28(2)18-22(20-12-7-4-8-13-20)26-25(30)21-17-29(16-19-10-5-3-6-11-19)27-24(21)23-14-9-15-31-23/h3-15,17,22H,16,18H2,1-2H3,(H,26,30)/p+1/t22-/m1/s1