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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[1-(phenylmethyl)pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: [(1S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: [(1S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(1-benzylpyrazole-4-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CN(N=C1)CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c1-24(2)20(18-11-7-4-8-12-18)14-22-21(26)19-13-23-25(16-19)15-17-9-5-3-6-10-17/h3-13,16,20H,14-15H2,1-2H3,(H,22,26)/p+1/t20-/m1/s1