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

Systemtic Name: [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] ethanoate Openeye Name: [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] acetate CAS Name: acetic 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] acetate Traditional Name: acetic acid [2,6-ditert-butyl-4-[(1-methyl-1-phenyl-pyrazol-1-ium-3-yl)amino]phenyl] ester Formula: C26H34N3O2+ MolecularWeight: 420.56706

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)NC2=N[N+](C=C2)(C)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)NC2=N[N+](C=C2)(C)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C26H34N3O2/c1-18(30)31-24-21(25(2,3)4)16-19(17-22(24)26(5,6)7)27-23-14-15-29(8,28-23)20-12-10-9-11-13-20/h9-17H,1-8H3,(H,27,28)/q+1