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

Systemtic Name: N-[1-(4-dodecoxy-3-methoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[1-(4-dodecoxy-3-methoxy-phenyl)ethyl]-1-ethyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[1-(4-dodecoxy-3-methoxyphenyl)ethyl]-1-ethyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[1-(4-dodecoxy-3-methoxyphenyl)ethyl]-1-ethylpyridin-1-ium-2-carboxamide iodide Traditional Name: 1-ethyl-N-[1-(4-lauryloxy-3-methoxy-phenyl)ethyl]pyridin-1-ium-2-carboxamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3.HI/c1-5-7-8-9-10-11-12-13-14-17-22-34-27-20-19-25(23-28(27)33-4)24(3)30-29(32)26-18-15-16-21-31(26)6-2;/h15-16,18-21,23-24H,5-14,17,22H2,1-4H3;1H