dimethyl-[(2S)-1-phenyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C26H28N5O+ MolecularWeight: 426.53342

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H27N5O/c1-30(2)23(16-20-10-5-3-6-11-20)18-28-26(32)24-19-31(22-13-7-4-8-14-22)29-25(24)21-12-9-15-27-17-21/h3-15,17,19,23H,16,18H2,1-2H3,(H,28,32)/p+1/t23-/m0/s1