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

Systemtic Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[1-(3-tert-butyl-4-dodecoxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-propyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(3-tert-butyl-4-dodecoxyphenyl)propyl]-1-propylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-[1-(3-tert-butyl-4-lauryloxy-phenyl)propyl]-1-propyl-pyridin-1-ium-4-carboxamide iodide Formula: C34H55IN2O2 MolecularWeight: 650.71717

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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)CCC)C(C)(C)C.[I-]

Isomeric SMILES

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

InChI

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