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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: [(1S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[(1-benzyl-3-phenylpyrazole-4-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(1-benzyl-3-phenyl-pyrazole-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O/c1-30(2)25(22-14-8-4-9-15-22)18-28-27(32)24-20-31(19-21-12-6-3-7-13-21)29-26(24)23-16-10-5-11-17-23/h3-17,20,25H,18-19H2,1-2H3,(H,28,32)/p+1/t25-/m1/s1