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

Systemtic Name: N-[1-(3-tert-butyl-4-tetradecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(3-tert-butyl-4-tetradecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(3-tert-butyl-4-tetradecoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-tert-butyl-4-tetradecoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(3-tert-butyl-4-myristyloxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C36H59IN2O2 MolecularWeight: 678.77033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58N2O2.HI/c1-7-10-11-12-13-14-15-16-17-18-19-20-28-40-34-22-21-31(29-32(34)36(4,5)6)33(9-3)37-35(39)30-23-26-38(25-8-2)27-24-30;/h21-24,26-27,29,33H,7-20,25,28H2,1-6H3;1H