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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

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