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

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)CCC)C(C)(C)C.[I-]

InChI

InChI=1S/C32H50N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-24-36-30-18-17-27(25-29(30)32(3,4)5)26-33-31(35)28-19-22-34(21-7-2)23-20-28;/h17-20,22-23,25H,6-16,21,24,26H2,1-5H3;1H