1-ethyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: 1-ethyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: 1-ethyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]-N-phenyl-pyridin-1-ium-4-carboxamide iodide CAS Name: 1-ethyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-phenyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-ethyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-N-phenylpyridin-1-ium-4-carboxamide iodide Traditional Name: 1-ethyl-N-(2-methyl-3-myristyloxy-benzyl)-N-phenyl-pyridin-1-ium-4-carboxamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CN(C2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)CC.[I-]

InChI

InChI=1S/C36H51N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-29-40-35-24-20-21-33(31(35)3)30-38(34-22-17-16-18-23-34)36(39)32-25-27-37(5-2)28-26-32;/h16-18,20-28H,4-15,19,29-30H2,1-3H3;1H/q+1;/p-1