3-[2-(4-tert-butylphenyl)-4-[(trimethylazaniumyl)methyl]imidazol-1-yl]phenolate

Systemtic Name: 3-[2-(4-tert-butylphenyl)-4-[(trimethylazaniumyl)methyl]imidazol-1-yl]phenolate Openeye Name: 3-[2-(4-tert-butylphenyl)-4-[(trimethylammonio)methyl]imidazol-1-yl]phenolate CAS Name: 3-[2-(4-tert-butylphenyl)-4-[(trimethylammonio)methyl]-1-imidazolyl]phenolate IUPAC Name: 3-[2-(4-tert-butylphenyl)-4-[(trimethylazaniumyl)methyl]imidazol-1-yl]phenolate Traditional Name: 3-[2-(4-tert-butylphenyl)-4-[(trimethylammonio)methyl]imidazol-1-yl]phenolate Formula: C23H29N3O MolecularWeight: 363.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CN2C3=CC(=CC=C3)[O-])C[N+](C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=CN2C3=CC(=CC=C3)[O-])C[N+](C)(C)C

InChI

InChI=1S/C23H29N3O/c1-23(2,3)18-12-10-17(11-13-18)22-24-19(16-26(4,5)6)15-25(22)20-8-7-9-21(27)14-20/h7-15H,16H2,1-6H3