N-[1-(4-dodecoxy-3-methoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[1-(4-dodecoxy-3-methoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-dodecoxy-3-methoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-dodecoxy-3-methoxyphenyl)ethyl]-1-methyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-dodecoxy-3-methoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-[1-(4-lauryloxy-3-methoxy-phenyl)ethyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Formula: C28H43IN2O3 MolecularWeight: 582.55709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(C)NC(=O)C2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C28H42N2O3.HI/c1-5-6-7-8-9-10-11-12-13-16-21-33-26-19-18-24(22-27(26)32-4)23(2)29-28(31)25-17-14-15-20-30(25)3;/h14-15,17-20,22-23H,5-13,16,21H2,1-4H3;1H