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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C39H57IN2O2 MolecularWeight: 712.78655

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)C(C)(C)C.[I-]

InChI

InChI=1S/C39H57N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-23-30-43-37-28-27-33(31-35(37)39(3,4)5)32-41(34-24-19-18-20-25-34)38(42)36-26-21-22-29-40(36)7-2;/h18-22,24-29,31H,6-17,23,30,32H2,1-5H3;1H/q+1;/p-1