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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-ethyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-ethylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-ethyl-pyridin-1-ium-3-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-24-37-31-22-21-28(25-30(31)33(3,4)5)26-34-32(36)29-20-19-23-35(7-2)27-29;/h19-23,25,27H,6-18,24,26H2,1-5H3;1H