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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-24-36-30-19-18-27(25-29(30)32(2,3)4)26-33-31(35)28-20-22-34(5)23-21-28;/h18-23,25H,6-17,24,26H2,1-5H3;1H