2-(4-tert-butylphenyl)-4,6-bis[(dimethylazaniumyl)methyl]pyridin-3-olate

Systemtic Name: 2-(4-tert-butylphenyl)-4,6-bis[(dimethylazaniumyl)methyl]pyridin-3-olate Openeye Name: 2-(4-tert-butylphenyl)-4,6-bis[(dimethylammonio)methyl]pyridin-3-olate CAS Name: 2-(4-tert-butylphenyl)-4,6-bis[(dimethylammonio)methyl]-3-pyridinolate IUPAC Name: 2-(4-tert-butylphenyl)-4,6-bis[(dimethylazaniumyl)methyl]pyridin-3-olate Traditional Name: 2-(4-tert-butylphenyl)-4,6-bis[(dimethylammonio)methyl]pyridin-3-olate Formula: C21H32N3O+ MolecularWeight: 342.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+](C)C)C[NH+](C)C)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=CC(=N2)C[NH+](C)C)C[NH+](C)C)[O-]

InChI

InChI=1S/C21H31N3O/c1-21(2,3)17-10-8-15(9-11-17)19-20(25)16(13-23(4)5)12-18(22-19)14-24(6)7/h8-12,25H,13-14H2,1-7H3/p+1