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

Systemtic Name: dimethyl-[(1S)-1-phenyl-2-[[4-(pyrazol-1-ylmethyl)phenyl]carbonylamino]ethyl]azanium Openeye Name: dimethyl-[(1S)-1-phenyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[4-(1-pyrazolylmethyl)phenyl]methyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-1-phenyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]ethyl]azanium Traditional Name: dimethyl-[(1S)-1-phenyl-2-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]ethyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC=C(C=C1)CN2C=CC=N2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC=C(C=C1)CN2C=CC=N2)C3=CC=CC=C3

InChI

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