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

Systemtic Name: [(2S)-1-[[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[3-(2-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[3-(2-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

Isomeric SMILES

C[NH+](C)[C@@H](CC1=CC=CC=C1)CNC(=O)C2=CN(N=C2C3=CC=CC=C3OC)C4=CC=CC=C4

InChI

InChI=1S/C28H30N4O2/c1-31(2)23(18-21-12-6-4-7-13-21)19-29-28(33)25-20-32(22-14-8-5-9-15-22)30-27(25)24-16-10-11-17-26(24)34-3/h4-17,20,23H,18-19H2,1-3H3,(H,29,33)/p+1/t23-/m0/s1