[2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] 2-methoxyethanoate

Systemtic Name: [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] 2-methoxyethanoate Openeye Name: [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] 2-methoxyacetate CAS Name: 2-methoxyacetic acid [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-3-pyrazol-1-iumyl)amino]phenyl] ester IUPAC Name: [2,6-ditert-butyl-4-[(1-methyl-1-phenylpyrazol-1-ium-3-yl)amino]phenyl] 2-methoxyacetate Traditional Name: 2-methoxyacetic acid [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] ester Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)COC)C(C)(C)C)NC2=N[N+](C=C2)(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)COC)C(C)(C)C)NC2=N[N+](C=C2)(C)C3=CC=CC=C3

InChI

InChI=1S/C27H36N3O3/c1-26(2,3)21-16-19(17-22(27(4,5)6)25(21)33-24(31)18-32-8)28-23-14-15-30(7,29-23)20-12-10-9-11-13-20/h9-17H,18H2,1-8H3,(H,28,29)/q+1