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

Systemtic Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-ethyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-ethylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(3-tert-butyl-4-lauryloxy-phenyl)propyl]-1-ethyl-pyridin-1-ium-4-carboxamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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