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

Systemtic Name: [2-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[[3-(3,4-dimethoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[3-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C28H31N4O3+ MolecularWeight: 471.57074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3/c1-31(2)18-22-11-9-8-10-21(22)17-29-28(33)24-19-32(23-12-6-5-7-13-23)30-27(24)20-14-15-25(34-3)26(16-20)35-4/h5-16,19H,17-18H2,1-4H3,(H,29,33)/p+1