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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-26-38-32-20-19-29(27-31(32)34(3,4)5)28-35-33(37)30-21-24-36(23-7-2)25-22-30;/h19-22,24-25,27H,6-18,23,26,28H2,1-5H3;1H