2-(3-chloranyl-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]ethanamide iodide

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-dodecoxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide CAS Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-propyl-4-pyridin-1-iumyl)ethyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-dodecoxyphenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide Traditional Name: 2-(3-chloro-4-lauryloxy-phenoxy)-N-[2-(1-propylpyridin-1-ium-4-yl)ethyl]acetamide iodide Formula: C30H46ClIN2O3 MolecularWeight: 645.05531

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CCC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)NCCC2=CC=[N+](C=C2)CCC)Cl.[I-]

InChI

InChI=1S/C30H45ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-23-35-29-15-14-27(24-28(29)31)36-25-30(34)32-19-16-26-17-21-33(20-4-2)22-18-26;/h14-15,17-18,21-22,24H,3-13,16,19-20,23,25H2,1-2H3;1H