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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

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