3-[5-(4-tert-butylphenyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,2,4-triazol-1-yl]phenolate

Systemtic Name: 3-[5-(4-tert-butylphenyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,2,4-triazol-1-yl]phenolate Openeye Name: 3-[5-(4-tert-butylphenyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,2,4-triazol-1-yl]phenolate CAS Name: 3-[5-(4-tert-butylphenyl)-3-[(1-methyl-1-pyrrolidin-1-iumyl)methyl]-1,2,4-triazol-1-yl]phenolate IUPAC Name: 3-[5-(4-tert-butylphenyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,2,4-triazol-1-yl]phenolate Traditional Name: 3-[5-(4-tert-butylphenyl)-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-1,2,4-triazol-1-yl]phenolate Formula: C24H30N4O MolecularWeight: 390.5212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)[O-])C[N+]4(CCCC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C3=CC(=CC=C3)[O-])C[N+]4(CCCC4)C

InChI

InChI=1S/C24H30N4O/c1-24(2,3)19-12-10-18(11-13-19)23-25-22(17-28(4)14-5-6-15-28)26-27(23)20-8-7-9-21(29)16-20/h7-13,16H,5-6,14-15,17H2,1-4H3