1-[4-azanyl-1-ethyl-5-methoxy-6-methyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide

Systemtic Name: 1-[4-azanyl-1-ethyl-5-methoxy-6-methyl-3-(4-tetradecoxyphenyl)carbonyl-pyridin-1-ium-2-yl]ethanone iodide Openeye Name: 1-[4-amino-1-ethyl-5-methoxy-6-methyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide CAS Name: 1-[4-amino-1-ethyl-5-methoxy-6-methyl-3-[oxo-(4-tetradecoxyphenyl)methyl]-2-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[4-amino-1-ethyl-5-methoxy-6-methyl-3-(4-tetradecoxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Traditional Name: 1-[4-amino-1-ethyl-5-methoxy-6-methyl-3-(4-myristyloxybenzoyl)pyridin-1-ium-2-yl]ethanone iodide Formula: C32H49IN2O4 MolecularWeight: 652.64693

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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)CC)C)OC)N.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C32H48N2O4.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-23-38-27-21-19-26(20-22-27)31(36)28-29(33)32(37-5)24(3)34(7-2)30(28)25(4)35;/h19-22,33H,6-18,23H2,1-5H3;1H