1-[4-azanyl-5-tert-butyl-1,6-dimethyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide

Systemtic Name: 1-[4-azanyl-5-tert-butyl-1,6-dimethyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide Openeye Name: 1-[4-amino-5-tert-butyl-1,6-dimethyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide CAS Name: 1-[4-amino-5-tert-butyl-1,6-dimethyl-3-[oxo-(4-tetradecoxyphenyl)methyl]-2-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[4-amino-5-tert-butyl-1,6-dimethyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Traditional Name: 1-[4-amino-5-tert-butyl-1,6-dimethyl-3-(4-myristyloxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Formula: C34H53IN2O3 MolecularWeight: 664.70069

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=C([N+](=C2C(=O)C)C)C)C(C)(C)C)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C2=C(C(=C([N+](=C2C(=O)C)C)C)C(C)(C)C)N.[I-]

InChI

InChI=1S/C34H52N2O3.HI/c1-8-9-10-11-12-13-14-15-16-17-18-19-24-39-28-22-20-27(21-23-28)33(38)29-31(35)30(34(4,5)6)25(2)36(7)32(29)26(3)37;/h20-23,35H,8-19,24H2,1-7H3;1H